SCHEMBL7101072

SCHEMBL7101072

COc1ccc2c(C3=C(c4c[nH]c5cc(OC)ccc45)C(=O)N(C)C3=O)c[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.70
CCND1 P24385 2/20 0.70
SIRT2 Q8IXJ6 1/20 0.60
SIRT1 Q96EB6 1/20 0.60
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
GSK3B P49841 2/20 0.49
DYRK1A Q13627 2/20 0.49
PDGFRB P09619 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
HTR2A P28223 1/20 0.46
KDR P35968 2/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
NUAK1 O60285 1/20 0.45
FLT4 P35916 1/20 0.45
FLT3 P36888 1/20 0.45
AURKB Q96GD4 1/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL7198405 0.89 SIRT2 (0.60) CDK4CCND1SIRT2SIRT1MAPT
SCHEMBL29596117 0.79 SIRT2 (0.63) CDK4CCND1SIRT2SIRT1ALDH1A1
SCHEMBL20624204 0.79 SIRT2 (0.63) CDK4CCND1SIRT2SIRT1GSK3B
SCHEMBL8317402 0.79 SIRT2 (0.63) CDK4CCND1SIRT2SIRT1HTR6
SCHEMBL20624179 0.79 SIRT2 (0.63) CDK4CCND1SIRT2SIRT1ALDH1A1
SCHEMBL7825953 0.78 SIRT2 (0.72) CDK4CCND1SIRT2SIRT1GSK3B
SCHEMBL9085267 0.77 CDK4 (0.87) CDK4CCND1SIRT2GSK3BPDGFRB
SCHEMBL7257596 0.77 CDK4 (0.61) CDK4CCND1MAPTALDH1A1KDM4E
SCHEMBL30958473 0.75 SIRT2 (1.00) CDK4CCND1SIRT2SIRT1MAPT
SCHEMBL3945882 0.75 SIRT2 (1.00) CDK4CCND1SIRT2SIRT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769555-B1 GENE CODING FOR GLYCOSYLTRANSFERASE AND USE THEREOF BANYU PHARMA CO LTD (JP) 2003-09-03 EP disclosed
US-RE37206-E1 FOR GLYCOSYLATING INDOLOPYRROLOCARBAZOLE DERIVATIVES CONVENIENTLY AND ECONOMICALLY BANYU PHARMACEUTICAL CO, LTD (JP) 2001-06-05 US disclosed
EP-0602597-B1 Process for preparation of indolopyrrolocarbazole derivatives BANYU PHARMA CO LTD (JP) 1999-09-01 EP disclosed
US-5861293-A GLYCOSYLATE INDOLOPYRROLOCARBAZOLE DERIVATIVES CONVENIENTLY AND ECONOMICALLY BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-19 US disclosed
US-5643760-A GLYCOSYLATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0769555-A1 GENE CODING FOR GLYCOSYLTRANSFERASE AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-04-23 EP disclosed
US-5437996-A An actinomyces for glycosylation; antitumor agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
EP-0602597-A2 Process for preparation of indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed