SCHEMBL7971397

SCHEMBL7971397

Cn1nc(-c2ccc(-c3ccc(N)cc3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
NPC1 O15118 6/20 0.39
KDM4E B2RXH2 5/20 0.39
RAB9A P51151 5/20 0.39
GLA P06280 3/20 0.39
RXFP1 Q9HBX9 3/20 0.39
GFER P55789 3/20 0.39
GAA P10253 3/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 4/20 0.38
NFKB1 P19838 3/20 0.38
PKM P14618 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 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
SCHEMBL7970587 0.92 TOP1 (0.34) ALDH1A1SMN1; SMN2HPGDHSD17B10TOP1
SCHEMBL7973155 0.92 F9 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7971678 0.91 NPC1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7972135 0.91 PDE10A (0.37) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7970581 0.90 F9 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7970061 0.90 GUSB (0.39) ALDH1A1SMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL10139961 0.90 GUSB (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7960814 0.90 NPC1 (0.39) ALDH1A1SMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL7973095 0.89 DHODH (0.36) ALDH1A1SMN1; SMN2GAAHPGDHSD17B10
SCHEMBL7965824 0.88 SIRT2 (0.37) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10

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
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed