SCHEMBL7651397

SCHEMBL7651397

COc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)c3c4c(ccc3n2)OCO4)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
MAPT P10636 3/20 0.52
GRM2 Q14416 1/20 0.46
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL7655647 0.96 MAPT (0.51) POLBMAPTRAB9AALDH1A1KMT2A
SCHEMBL7655128 0.92 RAB9A (0.52) POLBMAPTGRM2RAB9AKMT2A
SCHEMBL7655836 0.91 ALDH1A1 (0.50) POLBMAPTRAB9AALDH1A1KMT2A
SCHEMBL7658391 0.83 MAPT (0.45) POLBMAPTGRM2RAB9AALDH1A1
SCHEMBL7658421 0.83 NPC1 (0.41) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL7662218 0.81 PTGS2 (0.42) POLBMAPTGRM2RAB9AALDH1A1
SCHEMBL7656191 0.80 CFTR (0.47) MAPTGRM2RAB9AALDH1A1KMT2A
SCHEMBL7659665 0.79 GRM2 (0.54) MAPTGRM2RAB9AALDH1A1KMT2A
SCHEMBL7658261 0.79 MAPT (0.48) POLBMAPTTHRBRAB9AALDH1A1
SCHEMBL7657898 0.78 SIRT2 (0.44) POLBMAPTGRM2RAB9AALDH1A1

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed