SCHEMBL9523205

SCHEMBL9523205

COc1cc2cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)[nH]c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.52
PDGFRA P16234 3/20 0.52
ABCB1 P08183 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9522383 0.87 PDGFRB (0.61) PDGFRBPDGFRAKMT2AMEN1ALDH1A1
SCHEMBL9525590 0.80 PDGFRB (0.71) PDGFRBPDGFRAKMT2AALDH1A1KDM4E
SCHEMBL741209 0.80 PDGFRB (0.58) PDGFRBPDGFRAKMT2AMEN1PKM
SCHEMBL9591517 0.79 PDGFRB (0.53) PDGFRBPDGFRAKMT2AMEN1POLB
SCHEMBL14817808 0.77 PDGFRB (0.55) PDGFRBPDGFRAKMT2APOLBALDH1A1
SCHEMBL30994852 0.75 PDGFRB (0.59) PDGFRBPDGFRAKMT2AALDH1A1HPGD
SCHEMBL22502477 0.75 PDGFRB (0.59) PDGFRBPDGFRAKMT2AALDH1A1HPGD
SCHEMBL27390362 0.75 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL6514324 0.74 RXFP1 (0.53) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL25260588 0.74 PDGFRB (0.53) PDGFRBPDGFRAKMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354583-B1 DC-88A derivatives KYOWA HAKKO KOGYO KK (JP) 1993-11-03 EP disclosed
US-5117006-A DC-88A DERIVATIVES USEFUL AS ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed
US-5084468-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-28 US disclosed
EP-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed