SCHEMBL7355377

SCHEMBL7355377

Cc1cccc(OCC(=O)Nc2cc(C)c3c(c2)ncn3CCCCN2CC=C(c3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PLA2G1B P04054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MAPK1 P28482 3/20 0.42
MAPT P10636 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL7351996 0.95 ALDH1A1 (0.42) SMN1; SMN2TP53KDM4EALDH1A1MAPK1
SCHEMBL7360194 0.92 MAPT (0.43) SMN1; SMN2TP53MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7360641 0.90 PARP1 (0.42) TP53MEN1KMT2AKDM4ERAD52
SCHEMBL7357135 0.90 KDM4E (0.42) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7360674 0.90 CYP2C19 (0.42) SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL7351818 0.89 ALDH1A1 (0.45) SMN1; SMN2KMT2ALMNAKDM4EALDH1A1
SCHEMBL7356099 0.88 MCHR1 (0.45) SMN1; SMN2HTTLMNAMCHR1
SCHEMBL7354615 0.88 NOTUM (0.44) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7354626 0.88 KDM4E (0.43) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL7355443 0.87 KDM4E (0.42) SMN1; SMN2KMT2ALMNAKDM4EMAPT

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-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed