SCHEMBL9772437

SCHEMBL9772437

Clc1ccc(-c2nccn3cccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 6/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH1A3 P47895 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL9772462 0.83 HSD17B10 (0.40) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL9772563 0.82 ALDH1A1 (0.44) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL9772837 0.81 RORB (0.43) GAAIDO1TDO2ADORA1
SCHEMBL9772745 0.78 KDM4E (0.51) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL9772459 0.78 PTGS2 (0.38) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL9772463 0.78 GAA (0.38) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL3042386 0.75 KDM4E (0.33) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7317792 0.74 ALDH1A3 (0.54) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL9772460 0.72 CYP11B1 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL4691850 0.71 PDE3B (0.47) RAB9AKDM4EALDH1A1GAASMN1; 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
US-5041442-A Antiulcer agents SYNTEX (U.S.A.) INC. (US) 1991-08-20 US disclosed