SCHEMBL27122

SCHEMBL27122

O=C=Nc1ccc(Cc2ccccc2N=C=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.63
TSHR P16473 2/20 0.63
CYP1A2 P05177 1/20 0.47
TRPA1 O75762 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KEAP1 Q14145 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 1/20 0.33
SLC22A2 O15244 1/20 0.33
P2RY6 Q15077 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2A P28223 1/20 0.31
CTRC Q99895 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17912718 1.00 CYP3A4 (0.63) CYP3A4TSHRCYP1A2TRPA1GABRA1
SCHEMBL29368386 1.00 CYP3A4 (0.63) CYP3A4TSHRCYP1A2TRPA1GABRA1
SCHEMBL9246394 0.98 CYP3A4 (0.67) CYP3A4TSHRCYP1A2TRPA1GABRA1
SCHEMBL28264129 0.95 CYP3A4 (0.58) CYP3A4TSHRCYP1A2TRPA1GABRA1
Methyl Alcohol SCHEMBL9746439 0.95 CYP3A4 (0.58) CYP3A4TSHRCYP1A2TRPA1GABRA1
SCHEMBL9386715 0.95 CYP3A4 (0.67) CYP3A4TSHRCYP1A2TRPA1GABRA1
SCHEMBL28576503 0.93 CYP3A4 (0.50) CYP3A4TSHRCYP1A2TRPA1GABRA1
SCHEMBL1396314 0.92 CYP3A4 (0.54) CYP3A4TSHRCYP1A2TRPA1GABRA1
1,3-Propanediol SCHEMBL9748857 0.91 CYP3A4 (0.53) CYP3A4TSHRCYP1A2TRPA1GABRA1
SCHEMBL1396300 0.91 CYP3A4 (0.53) CYP3A4TSHRCYP1A2TRPA1GABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 12841 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260146217-A1 LAUNDRY CARE ADDITIVE PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2026-05-28 US claimed
EP-4748867-A1 FOAMED WATERPROOFING COATING Saint-Gobain Weber France (FR) 2026-05-27 EP claimed
EP-4747294-A1 OPTICAL MATERIAL DERIVED FROM A POLYMERIZABLE COMPOSITION CONTAINING A HETERODIFUNCTIONAL ALKYNE COMPOUND Essilor International (FR) 2026-05-27 EP claimed
EP-4747293-A1 OPTICAL MATERIAL DERIVED FROM A POLYMERIZABLE COMPOSITION CONTAINING A TERMINAL DIALKYNE COMPOUND ESSILOR INTERNATIONAL (FR) 2026-05-27 EP claimed
EP-4747295-A1 OPTICAL MATERIAL DERIVED FROM A PREPOLYMER OBTAINED FROM A HETERODIFUNCTIONAL ALKYNE COMPOUND ESSILOR INTERNATIONAL (FR) 2026-05-27 EP claimed
CN-122080846-A Bi-component flame-retardant polyurethane foam adhesive and preparation method and application thereof 2026-05-26 CN claimed
CN-122060449-A Polyurethane binder for food packaging material and preparation method thereof 湖州欧美化学有限公司 2026-05-19 CN claimed
CN-119799263-B Bi-component polyurethane adhesive composition, and preparation method and application thereof 万华化学(北京)有限公司 2026-05-19 CN claimed
CN-117362559-B Polyurethane resin matrix material for composite material, application of polyurethane resin matrix material and liquid molding composite material 万华化学集团股份有限公司 2026-05-19 CN claimed
CN-122037854-A Anti-skinning anti-bubble difunctional moisture-curing reaction type PUR (polyurethane) automobile ceiling adhesive and preparation method thereof 佛山市极威新材料有限公司 2026-05-15 CN claimed
US-4192938-A Modified polyisocyanates containing sulfonic acid ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-03-11 US claimed
US-4189354-A DISTILLATION, PURIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US claimed
US-4163095-A Process for the solvent-free production of solid plastic moldings sealing compounds and insulations using a polyisocyanate mixture containing 2,4'-diisocyanatodiphenylmethane BAYER AKTIENGESELLSCHAFT (DE) 1979-07-31 US claimed
US-4162357-A Process for the production of synthetic resins containing isocyanurate groups BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US claimed
US-4144267-A AMORPHOUS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-13 US claimed
EP-0000893-A1 Process for the preparation of polyisocyanates and their use BAYER AG (DE) 1979-03-07 EP claimed
US-4129697-A Process for the production of thermoformable polyisocyanurate foams BAYER AKTIENGESELLSCHAFT (DE) 1978-12-12 US claimed
US-4113014-A POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 US claimed
US-4058506-A OR KETONES BASF AKTIENGESELLSCHAFT (DT) 1977-11-15 US claimed
US-4025579-A ELASTOMERIC GRANULATES IN POLYURETHANE BINDER BAYER AKTIENGESELLSCHAFT (DT) 1977-05-24 US claimed