SCHEMBL14723936

SCHEMBL14723936

CC(C)(C)Cc1cc(NC(=O)C(C)(C)C)no1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KDR P35968 1/20 0.39
ADORA1 P30542 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CNR2 P34972 3/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPK14 Q16539 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 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
SCHEMBL14724235 0.83 EGFR (0.47) EGFRADORA1ALDH1A1GAAMAPT
SCHEMBL11966193 0.75 RAF1 (0.43) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL9891521 0.75 EGFR (0.64) EGFRKDRCNR2HPGDCNR1
SCHEMBL9891519 0.73 MAPK14 (0.55) L3MBTL1ALDH1A1GAACNR2CNR1
SCHEMBL12155319 0.73 EGFR (0.50) EGFRKDRCNR2HPGDCNR1
SCHEMBL2527939 0.73 ALDH1A1 (0.41) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL24429344 0.72 HDAC6 (0.49) ALDH1A1HPGDNPC1RAB9A
SCHEMBL9416864 0.72 CNR1 (0.52) EGFRKDRCNR2HPGDCNR1
SCHEMBL2797765 0.71 IGF1R (0.39) KDRALDH1A1HPGDNPC1RAB9A
SCHEMBL2529954 0.71 RAB9A (0.41) ALDH1A1CNR2HPGDCNR1MAPT

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-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed