SCHEMBL30367544

SCHEMBL30367544

CC(C)C(=O)N1CC=C(c2cc(Br)c(C#N)c(C(=O)O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.46
ADAM10 O14672 2/20 0.38
MMP2 P08253 2/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MMP3 P08254 1/20 0.38
CCR1 P32246 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RCE1 Q9Y256 1/20 0.35
QDPR P09417 1/20 0.35
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL30367315 0.80 NAMPT (0.45) NAMPTKCNH2HRH3CCR1KDM4E
SCHEMBL30367298 0.71 NAMPT (0.48) NAMPTADAM10MMP2KCNH2HRH3
SCHEMBL30366906 0.70 NAMPT (0.45) NAMPTCCR1MAPTALDH1A1QDPR
SCHEMBL27694889 0.70 NAMPT (0.55) NAMPTKCNH2HRH3CCR1ALDH1A1
SCHEMBL29052438 0.68 NAMPT (0.43) NAMPTKCNH2HRH3CCR1KDM4E
SCHEMBL14197130 0.68 NAMPT (0.58) NAMPTKCNH2HRH3CCR1MAPT
SCHEMBL3696698 0.64 NAMPT (1.00) NAMPT
SCHEMBL1366521 0.62 ADAM10 (0.56) NAMPTADAM10MMP2KCNH2HRH3
SCHEMBL2176823 0.62 NAMPT (0.49) NAMPTADAM10MMP2MMP3
SCHEMBL13925377 0.62 NAMPT (0.47) NAMPTKCNH2HRH3CCR1MAPT

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-2023051464-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-04-06 WO disclosed