SCHEMBL7835607

SCHEMBL7835607

COC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)CC1NCC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.32
CPB2 Q96IY4 1/20 0.31
MEN1 O00255 1/20 0.31
ABCC4 O15439 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.31
KMT2A Q03164 1/20 0.31
RET P07949 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL7835604 1.00 HTR3A (0.32) HTR3ACPB2MEN1ABCC4LMNA
SCHEMBL7835615 1.00 HTR3A (0.32) HTR3ACPB2MEN1ABCC4LMNA
SCHEMBL7832312 0.92 OPRK1 (0.34) HTR3AMEN1LMNAKMT2ARET
SCHEMBL7832308 0.92 OPRK1 (0.34) HTR3AMEN1LMNAKMT2ARET
SCHEMBL7832305 0.92 OPRK1 (0.34) HTR3AMEN1LMNAKMT2ARET
SCHEMBL8802452 0.89 RET (0.31) CPB2RET
SCHEMBL8802444 0.89 RET (0.31) CPB2RET
SCHEMBL8802441 0.89 RET (0.31) CPB2RET
Vosaroxin SCHEMBL674441 0.88 HTR3A (0.35) HTR3AMEN1ABCC4LMNAPKM
Vosaroxin SCHEMBL3207291 0.88 HTR3A (0.35) HTR3AMEN1ABCC4LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787726-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed