SCHEMBL9757041

SCHEMBL9757041

N#Cc1nc2ccc(CBr)cc2o1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 4/20 0.59
PSMB5 P28074 2/20 0.59
PIK3CG P48736 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CYP19A1 P11511 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1G2 P78368 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL9757389 0.87 PSMB8 (0.59) PSMB8PSMB5SMN1; SMN2NPC1RAB9A
Bromide SCHEMBL9757330 0.75 PSMB8 (0.50) PSMB8PSMB5SMN1; SMN2LMNATP53
SCHEMBL1162063 0.75 MAPT (0.35) PSMB8PSMB5PIK3CGSMN1; SMN2NPC1
SCHEMBL1390803 0.75 POLB (0.44) SMN1; SMN2NPC1USP2RAB9AMAPK10
SCHEMBL9757128 0.75 PSMB8 (0.65) PSMB8PSMB5NPC1RAB9ACYP19A1
SCHEMBL21689039 0.75 PSMB8 (0.65) PSMB8PSMB5PIK3CGSMN1; SMN2NPC1
SCHEMBL9757252 0.75 PSMB8 (0.65) PSMB8PSMB5SMN1; SMN2NPC1USP2
SCHEMBL9797527 0.74 PSMB8 (0.63) PSMB8PSMB5PIK3CGMAPTMAPK1
SCHEMBL9797235 0.73 PSMB8 (0.61) PSMB8PSMB5PIK3CGMAPTMAPK1
SCHEMBL30058638 0.71 PSMB8 (0.59) PSMB8PSMB5SMN1; SMN2NPC1RAB9A

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