SCHEMBL6204546

SCHEMBL6204546

CCOc1cccc2c(=O)c(C(=O)NCc3ccc(CN(C)CCc4ccccc4)cc3)c[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.53
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK10 P53779 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA2A P29274 7/20 0.48
ADORA1 P30542 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6206629 0.95 POLB (0.56) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6205974 0.90 POLB (0.57) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6206450 0.89 POLB (0.55) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6204974 0.89 POLB (0.64) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6205372 0.88 POLB (0.55) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6204814 0.84 POLB (0.78) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6205058 0.83 POLB (0.62) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6206874 0.80 POLB (0.63) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6204183 0.79 POLB (0.72) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6206717 0.79 POLB (0.54) POLBRAB9AMEN1KMT2AALDH1A1

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