SCHEMBL9524229

SCHEMBL9524229

CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.53
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
MMP13 P45452 3/20 0.43
GAA P10253 1/20 0.41
LGALS8 O00214 1/20 0.41
LGALS3 P17931 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GNRHR P30968 1/20 0.40
BCL2 P10415 1/20 0.40
BECN1 Q14457 1/20 0.40
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL9591517 0.90 PDGFRB (0.53) LEF1PDGFRBPDGFRAMMP13GAA
SCHEMBL5087407 0.81 LEF1 (0.55) LEF1MMP13GAAMEN1KMT2A
SCHEMBL6617416 0.81 LEF1 (0.74) LEF1PDGFRBPDGFRAMMP13GAA
SCHEMBL9522383 0.79 PDGFRB (0.61) PDGFRBPDGFRAMEN1KMT2AKDM4E
SCHEMBL3030225 0.77 LEF1 (0.60) LEF1MMP13MMP2KMT2AMAPT
SCHEMBL7155166 0.77 HRH4 (0.55) PDGFRBPDGFRALGALS8LGALS3MEN1
SCHEMBL6619949 0.77 LEF1 (0.81) LEF1MMP13GAAMEN1KMT2A
SCHEMBL3027522 0.77 MMP13 (0.72) LEF1MMP13GAAMMP2MEN1
SCHEMBL741209 0.77 PDGFRB (0.58) PDGFRBPDGFRALGALS8LGALS3MEN1
SCHEMBL13311254 0.76 LEF1 (0.59) LEF1MMP13GAAMMP2MEN1

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 7 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-5248692-A DC-89 derivatives as anti-tumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
US-5214065-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-05-25 US 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-0461603-A1 DC-89 derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-18 EP disclosed
EP-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed