SCHEMBL10492799

SCHEMBL10492799

CC(C)Cc1ccc(C(C)c2ccc(N)cc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.42
▸ PTGS1 P23219 4/20 0.40
▸ PTGS2 P35354 4/20 0.40
▸ CXCR1 P25024 3/20 0.40
▸ CXCR2 P25025 3/20 0.40
▸ ALOX5 P09917 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ ALB P02768 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40

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
SCHEMBL10496377 0.85 ATM (0.38) LMNAAKR1C3NFKB1TSHRAKR1C2
SCHEMBL10492568 0.83 GFER (0.35) HTR2A
SCHEMBL10492547 0.81 TDP1 (0.38) TSHR
SCHEMBL10501343 0.81 MAOB (0.50) CYP2C9HTR2A
SCHEMBL10492505 0.81 NPC1 (0.42) LMNA
SCHEMBL10492484 0.80 SKP2 (0.44) HTR2ATSHR
SCHEMBL10492640 0.80 ALDH1A1 (0.37) PTGS1PTGS2ALOX5LMNATSHR
SCHEMBL10492551 0.80 MAOB (0.36) HTR2A
SCHEMBL10492793 0.80 ALDH1A1 (0.32) —
SCHEMBL10492742 0.80 ACHE (0.43) ALOX5LMNANFKB1TSHRCHRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868225-A STERICALLY HINDERED META-PHENYLENEDIAMINE CHAIN EXTENDER FOR POLYURETHANES THE DOW CHEMICAL COMPANY (US) 1989-09-19 — — US disclosed
US-4866208-A CURING AGENT FOR EPOXY RESINS; EXTENDERS FOR POLYUREA-URETHANE COPOLYMERS THE DOW CHEMICAL COMPANY (US) 1989-09-12 — — US disclosed
US-4792623-A CURING AGENT, EXTENDER THE DOW CHEMICAL COMPANY (US) 1988-12-20 — — US disclosed
EP-0082258-B1 SUBSTITUTED M-PHENYLENEDIAMINES THE DOW CHEMICAL COMPANY (US) 1986-02-19 — — EP disclosed
EP-0082258-A1 Substituted m-phenylenediamines THE DOW CHEMICAL COMPANY (US) 1983-06-29 — — EP disclosed
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