SCHEMBL7659665

SCHEMBL7659665

COc1ccc(-c2cc(C(N)=O)nc3ccc4c(c23)OCO4)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.54
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7656191 0.90 CFTR (0.47) GRM2KDM4EALDH1A1HPGDMEN1
SCHEMBL7658391 0.87 MAPT (0.45) GRM2KDM4EALDH1A1GAAHPGD
SCHEMBL7657898 0.85 SIRT2 (0.44) GRM2KDM4EALDH1A1TP53GAA
SCHEMBL7655647 0.83 MAPT (0.51) KDM4EALDH1A1TP53GAAHPGD
SCHEMBL7659425 0.81 PLAU (0.44) GRM2KDM4EALDH1A1HPGDMAPT
SCHEMBL7659132 0.81 KMT2A (0.62) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7651397 0.79 POLB (0.55) GRM2KDM4EALDH1A1GAAHPGD
SCHEMBL7655836 0.79 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL7655128 0.78 RAB9A (0.52) GRM2TP53MEN1KMT2AMAPT
SCHEMBL7656725 0.76 NR4A2 (0.45) KDM4EALDH1A1HPGDKMT2AMAPT

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 3 patents. 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
EP-0975621-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998049155-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed