SCHEMBL9756963

SCHEMBL9756963

Nc1cccc2nc(-c3nnn[nH]3)oc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DHODH Q02127 1/20 0.33
▸ ELANE P08246 2/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ NPC1 O15118 4/20 0.31
▸ RAB9A P51151 4/20 0.31
▸ HPGD P15428 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9757122 0.78 MEN1 (0.45) L3MBTL1ELANEHPGDSMN1; SMN2MEN1
SCHEMBL15961465 0.76 NPC1 (0.50) ATMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8117279 0.72 DHODH (0.58) ATML3MBTL1DHODHELANENPC1
SCHEMBL21612962 0.71 NPC1 (0.60) ATML3MBTL1DHODHELANENPC1
SCHEMBL29506408 0.71 PRKDC (0.38) HPGDKMT2AKDM4EALDH1A1MAPT
SCHEMBL3378970 0.71 PRKDC (0.38) HPGDKMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL3378814 0.70 PRKDC (0.37) HPGDKMT2AKDM4EALDH1A1MAPT
SCHEMBL10477346 0.69 PKM (0.44) L3MBTL1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10477438 0.69 KDM4E (0.38) ATML3MBTL1NPC1RAB9AHPGD
SCHEMBL11146024 0.67 ALDH1A1 (0.38) L3MBTL1AXLNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 — — WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 — — US disclosed
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