SCHEMBL8370425

SCHEMBL8370425

Cc1cccc(Br)c1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.36
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PBRM1 Q86U86 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
SCHEMBL374209 0.85 GABRA1 (0.56) GABRA1GABRB2CYP3A4ALDH1A1TRPA1
SCHEMBL10841494 0.85 GABRA1 (0.50) GABRA1GABRB2CYP3A4CA1CA2
SCHEMBL1133364 0.79 GABRA1 (0.50) GABRA1GABRB2CYP3A4ALDH1A1TRPA1
SCHEMBL28201284 0.79 GABRA1 (0.50) GABRA1GABRB2CYP3A4ALDH1A1TRPA1
SCHEMBL30520271 0.78 CYP3A4 (0.63) GABRA1GABRB2CYP3A4ALDH1A1TRPA1
SCHEMBL2169198 0.78 CYP3A4 (0.52) GABRA1GABRB2CYP3A4ALDH1A1TRPA1
SCHEMBL20145 0.78 CYP3A4 (0.63) GABRA1GABRB2CYP3A4ALDH1A1TRPA1
SCHEMBL10613158 0.77 GABRA1 (0.75) GABRA1GABRB2CYP3A4ALDH1A1CYP1A2
SCHEMBL9965047 0.77 ALDH1A1 (0.48) ALDH1A1MEN1HSP90AA1KMT2AATM
SCHEMBL30390691 0.76 GABRA1 (0.52) GABRA1GABRB2CYP3A4ALDH1A1TRPA1

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
CN-1276787-A Substd. N-aryl-O-aryloxyalkyl carbamates and their use as herbicides BAYER AG (DE) 2000-12-13 CN disclosed
WO-1999065869-A1 SUBSTITUTED N-ARYL-O-ALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-23 WO disclosed
EP-0217787-A4 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION. RORER INTERNAT OVERSEAS INC (US) 1988-07-21 EP disclosed
EP-0217787-A1 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-04-15 EP disclosed
WO-1986004935-A1 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-08-28 WO disclosed