SCHEMBL7655836

SCHEMBL7655836

COc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)OCO4)c3c4c(ccc3n2)OCO4)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 2/20 0.48
DYRK1A Q13627 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 3/20 0.47

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 0.95 MAPT (0.51) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL7651397 0.91 POLB (0.55) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL7659132 0.86 KMT2A (0.62) ALDH1A1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL7658391 0.83 MAPT (0.45) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL7655128 0.83 RAB9A (0.52) KMT2ASMN1; SMN2POLBMEN1MAPT
SCHEMBL7662979 0.82 NPC1 (0.60) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL7662426 0.81 ADORA3 (0.43) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL7656191 0.80 CFTR (0.47) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL7659665 0.79 GRM2 (0.54) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL7657898 0.78 SIRT2 (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

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