SCHEMBL7658200

SCHEMBL7658200

O=C(O)c1cc(-c2ccc3c(c2)OCO3)c2c3c(ccc2n1)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
CTNNB1 P35222 1/20 0.47
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
MC4R P32245 1/20 0.46
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TP53 P04637 2/20 0.46
DHODH Q02127 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.42
IGFBP3 P17936 2/20 0.41
SRC P12931 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
SCHEMBL7655633 0.88 GRM2 (0.43) MCL1CTNNB1KDM4EKMT2AMEN1
SCHEMBL7662426 0.86 ADORA3 (0.43) KDM4EKMT2AMEN1GAAPOLB
SCHEMBL7656206 0.86 NPC1 (0.43) CTNNB1KDM4EKMT2AMEN1GAA
SCHEMBL7656191 0.85 CFTR (0.47) MCL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL7662205 0.83 SIRT2 (0.53) KDM4EKMT2AMEN1GAATP53
SCHEMBL7662979 0.81 NPC1 (0.60) KDM4EKMT2AMEN1GAATP53
SCHEMBL7652092 0.79 ALDH1A1 (0.50) CTNNB1KDM4EKMT2AMEN1GAA
SCHEMBL7659132 0.78 KMT2A (0.62) KDM4EKMT2AMEN1POLBRXFP1
SCHEMBL7660819 0.77 KDM4E (0.53) CTNNB1KDM4EKMT2AMEN1GAA
SCHEMBL7655836 0.76 ALDH1A1 (0.50) KDM4EKMT2AMEN1GAAPOLB

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