SCHEMBL9751268

SCHEMBL9751268

CCc1ccc(CC(N=C=O)N=C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
ACACB O00763 1/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CA2 P00918 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MGLL Q99685 2/20 0.33
PLK1 P53350 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL2113933 0.79 EPHX1 (0.44) CYP2A6TAAR1SIGMAR1
SCHEMBL6298771 0.76 TSHR (0.44) PLAUCYP2A6ALDH1A1TSHRMAPK1
SCHEMBL28358275 0.74 L3MBTL1 (0.42) PLAUACACBCYP2A6ALDH1A1TSHR
SCHEMBL22279410 0.74 L3MBTL1 (0.42) PLAUACACBCYP2A6ALDH1A1TSHR
SCHEMBL5710769 0.72 TSHR (0.35) TSHRTAAR1LMNACYP3A4
SCHEMBL21753640 0.72 TSHR (0.35) TSHRTAAR1LMNACYP3A4
SCHEMBL9503514 0.69 CA2 (0.41) ACACBCYP2A6ALDH1A1PPARGPPARA
SCHEMBL1456990 0.68 CYP2A6 (0.41) PLAUCYP2A6ALDH1A1TSHRCA2
SCHEMBL93291 0.68 CYP3A4 (0.68) PLAUCYP2A6ALDH1A1TSHRMAPK1
SCHEMBL3348229 0.68 CYP2A6 (0.50) PLAUCYP2A6ALDH1A1TSHRMAPK1

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
EP-0375682-A4 FIRE RESISTANT FOAM COMPOSED OF PREDOMINANTLY AMIDE AND IMIDE LINKAGES 1991-03-20 EP disclosed
EP-0375682-A1 FIRE RESISTANT FOAM COMPOSED OF PREDOMINANTLY AMIDE AND IMIDE LINKAGES THE DOW CHEMICAL COMPANY (US) 1990-07-04 EP disclosed
WO-1989001958-A1 FIRE RESISTANT FOAM COMPOSED OF PREDOMINANTLY AMIDE AND IMIDE LINKAGES THE DOW CHEMICAL COMPANY (US) 1989-03-09 WO disclosed
US-4738990-A MIXING DIISOCYANATE AND DIACID IN PRESENCE OF CYCLIC PHOSPHORUS COMPOUND THE DOW CHEMICAL COMPANY (US) 1988-04-19 US disclosed
US-4006122-A STORAGE STABLE THE UPJOHN COMPANY (US) 1977-02-01 US disclosed