SCHEMBL7049815

SCHEMBL7049815

COc1ccc2ccccc2c1-c1nc(-c2ncccc2C)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
S1PR1 P21453 6/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NISCH Q9Y2I1 1/20 0.43
SMN1; SMN2 Q16637 8/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
TP53 P04637 4/20 0.42
GAA P10253 3/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MITF O75030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 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
SCHEMBL6457047 0.87 S1PR1 (0.58) MAPTS1PR1MEN1KMT2ANISCH
SCHEMBL6453045 0.83 SMN1; SMN2 (0.40) MAPTS1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL7053110 0.83 MAPT (0.42) MAPTS1PR1MEN1KMT2ANISCH
SCHEMBL6450392 0.82 NPC1 (0.63) MAPTS1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL6456662 0.80 RAB9A (0.43) MAPTS1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL6450253 0.78 SMN1; SMN2 (0.63) MAPTS1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL6451277 0.75 SMN1; SMN2 (0.50) MAPTS1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL6453548 0.75 NR1H4 (0.41) MAPTS1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL6452503 0.74 SMN1; SMN2 (0.48) MAPTS1PR1SMN1; SMN2NPC1RAB9A
SCHEMBL6448850 0.73 SMN1; SMN2 (0.51) MAPTS1PR1MEN1KMT2ASMN1; 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
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed