SCHEMBL6206874

SCHEMBL6206874

COc1cccc2c(=O)c(C(=O)NCc3cccc(CN(C)Cc4ccccc4)c3)c[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
HPGD P15428 4/20 0.63
ALDH1A1 P00352 3/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPK10 P53779 1/20 0.63
KMT2A Q03164 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KDM4E B2RXH2 1/20 0.55
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
CNR2 P34972 1/20 0.49
ADORA2A P29274 3/20 0.48

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
SCHEMBL6206450 0.91 POLB (0.55) POLBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL6204183 0.88 POLB (0.72) POLBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL6206629 0.85 POLB (0.56) POLBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL6205597 0.83 POLB (0.65) POLBRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL6204546 0.80 POLB (0.53) POLBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL6206443 0.78 POLB (0.79) POLBHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL6205974 0.78 POLB (0.57) POLBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL6204974 0.78 POLB (0.64) POLBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL6205372 0.77 POLB (0.55) POLBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL5345758 0.77 HPGD (0.56) POLBHPGDALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed