SCHEMBL7980402

SCHEMBL7980402

CCCc1ccccc1N(C(C)=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
PTPN1 P18031 1/20 0.39
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7978939 0.90 LMNA (0.49) LMNANPSR1HTTPOLBTP53
SCHEMBL229105 0.78 HTT (0.53) LMNANPSR1HTTPOLBTP53
SCHEMBL6008374 0.78 HTT (0.44) LMNANPSR1HTTPOLBTP53
SCHEMBL7978811 0.78 PTPN1 (0.46) LMNANPSR1HTTPTPN1POLB
SCHEMBL7978866 0.73 L3MBTL1 (0.41) LMNANPSR1HTTPOLBTP53
SCHEMBL20442406 0.72 TSPO (0.46) LMNANPSR1HTTPTPN1TP53
SCHEMBL1951368 0.72 PTPN1 (0.42) LMNAPTPN1TP53ALDH1A1
SCHEMBL19512684 0.72 NPSR1 (0.47) LMNANPSR1HTTPOLBTP53
SCHEMBL3258467 0.72 OPRM1 (0.42) NPSR1HTTKMT2A
SCHEMBL2372910 0.71 LMNA (0.56) LMNANPSR1PTPN1TP53TSHR

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
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed