SCHEMBL28586997

SCHEMBL28586997

Cc1ccccc1-c1ccccc1C.N=C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ACHE P22303 1/20 0.45
BRD4 O60885 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGD P15428 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
IDO1 P14902 4/20 0.38
NOTUM Q6P988 1/20 0.38
HTR7 P34969 1/20 0.38
MAOB P27338 3/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL160151 1.00 TSHR (0.45) TSHRACHEBRD4SMN1; SMN2NPC1
SCHEMBL29703355 1.00 TSHR (0.45) TSHRACHEBRD4SMN1; SMN2NPC1
SCHEMBL29385200 1.00 TSHR (0.45) TSHRACHEBRD4SMN1; SMN2NPC1
Methane SCHEMBL9069071 0.97 TSHR (0.43) TSHRACHEBRD4SMN1; SMN2NPC1
SCHEMBL4495660 0.86 CA12 (0.48) TSHRSMN1; SMN2NPC1RAB9AHPGD
O-Xylene SCHEMBL29802653 0.86 TSHR (0.62) TSHRACHENPC1RAB9AHPGD
O-Xylene SCHEMBL163751 0.86 TSHR (0.62) TSHRACHENPC1RAB9AHPGD
O-Xylene SCHEMBL29851191 0.86 TSHR (0.62) TSHRACHENPC1RAB9AHPGD
O-Xylene SCHEMBL31425598 0.86 TSHR (0.62) TSHRACHENPC1RAB9AHPGD
O-Xylene SCHEMBL29860873 0.86 TSHR (0.62) TSHRACHENPC1RAB9AHPGD

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

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060292-A Spandex fiber, preparation method thereof and textile prepared by spandex fiber 中原工学院 2024-12-03 CN disclosed
CN-114605719-A Elastomer composition containing solid residues for the preparation of isocyanates 科思创有限公司 2022-06-10 CN disclosed
CN-108368235-B On-demand curable moisture-curable urethane-containing fuel-resistant prepolymers and compositions thereof PRC-迪索托国际公司 2021-06-25 CN disclosed