SCHEMBL3973029

SCHEMBL3973029

NC(=O)C1C(=O)NNc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
IDO1 P14902 3/20 0.41
TDO2 P48775 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 9/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NLRP3 Q96P20 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 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
SCHEMBL7093706 0.84 MAPT (0.55) ATMIDO1TDO2ALDH1A1GAA
SCHEMBL6674552 0.70 ATM (0.39) ATMIDO1TDO2ALDH1A1GAA
SCHEMBL11801695 0.70 HSD17B10 (0.47) ATMIDO1TDO2ALDH1A1GAA
SCHEMBL1461839 0.67 MAPT (0.56) IDO1TDO2ALDH1A1GAAMAPT
SCHEMBL9206122 0.67 MAPT (0.41) IDO1TDO2ALDH1A1MAPTLMNA
SCHEMBL30250175 0.66 ATM (0.61) ATMALDH1A1GAALMNAKMT2A
SCHEMBL3143561 0.66 ATM (0.61) ATMALDH1A1GAALMNAKMT2A
SCHEMBL5737972 0.66 MAPT (0.55) IDO1TDO2ALDH1A1GAAMAPT
SCHEMBL6297845 0.66 MAPT (0.59) IDO1TDO2ALDH1A1GAAMAPT
SCHEMBL8645020 0.65 GSK3B (0.43) ATMIDO1TDO2ALDH1A1GAA

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-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 WO disclosed