SCHEMBL20125121

SCHEMBL20125121

Cc1cc(-c2ccccc2)c2nccn2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TNKS O95271 1/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH1A3 P47895 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CDK2 P24941 2/20 0.40
CCNE1 P24864 1/20 0.40
ADORA2A P29274 1/20 0.40
SPTLC1 O15269 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL15828627 0.80 TNKS (0.45) L3MBTL1TNKSCDK5CDK5R1ALDH1A2
SCHEMBL20801724 0.80 METAP2 (0.40) L3MBTL1CDK5CDK5R1ALDH1A2ALDH1A3
SCHEMBL12920738 0.75 MAPT (0.48) L3MBTL1CDK5CDK5R1ALDH1A2ALDH1A3
SCHEMBL1367213 0.75 GRM4 (0.45) CDK2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13325790 0.74 ALDH1A3 (0.59) CDK5CDK5R1ALDH1A2ALDH1A3ADORA2A
SCHEMBL4672079 0.74 ALDH1A3 (0.54) ALDH1A2ALDH1A3CDK2CCNE1NPC1
SCHEMBL454081 0.74 SPTLC1 (0.53) L3MBTL1TNKSSPTLC1SMN1; SMN2KDM4E
SCHEMBL2260742 0.73 L3MBTL1 (0.67) ACKR3L3MBTL1TNKSNPC1RAB9A
SCHEMBL13821670 0.72 L3MBTL1 (0.50) ACKR3L3MBTL1TNKSADORA2AKDM4E
SCHEMBL9788686 0.72 TNKS (0.46) L3MBTL1TNKSSPTLC1NPC1RAB9A

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed