SCHEMBL11067660

SCHEMBL11067660

C=CCNc1cccc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
UNG P13051 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2A6 P11509 1/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35
NSD2 O96028 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL728274 0.82 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL26308648 0.78 MAOB (0.47) HTR7ALDH1A1UNGMAOAMAOB
SCHEMBL5538035 0.78 HTR7 (0.45) HTR7ALDH1A1UNGMAOAMAOB
SCHEMBL31023263 0.78 HTR7 (0.45) HTR7ALDH1A1UNGMAOAMAOB
SCHEMBL11061209 0.78 HTR7 (0.49) HTR7ALDH1A1UNGMAOAMAOB
SCHEMBL7199847 0.77 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL23109840 0.76 FFAR1 (0.42) HTR7ALDH1A1KMT2AMAPT
SCHEMBL5540240 0.75 HTR7 (0.49) HTR7ALDH1A1UNGMAOAMAOB
SCHEMBL2278503 0.75 HTR7 (0.46) HTR7ALDH1A1MAPTHTT
SCHEMBL1220014 0.74 CYP3A4 (0.47) HTR7CA12CA1CA2CA9

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-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed