SCHEMBL7358902

SCHEMBL7358902

COc1ccc(F)c(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK14 Q16539 1/20 0.40
LMNA P02545 1/20 0.40
GPR35 Q9HC97 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 3/20 0.39
F10 P00742 3/20 0.39
DHODH Q02127 1/20 0.38
NPC1 O15118 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ABCB1 P08183 1/20 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
SCHEMBL7398344 0.98 DHODH (0.40) TP53RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7359461 0.92 DHODH (0.44) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7400116 0.90 DHODH (0.47) RAB9ASMN1; SMN2GPR35NPSR1ALDH1A1
SCHEMBL7398175 0.84 GLA (0.41) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6771697 0.84 RXFP1 (0.44) TP53RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7392152 0.83 ROCK2 (0.47) TP53RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7398647 0.82 MAPT (0.53) TP53RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7359535 0.81 LMNA (0.55) TP53RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7366681 0.81 TP53 (0.57) TP53RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7364226 0.81 TP53 (0.42) TP53RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO claimed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO claimed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO disclosed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO disclosed