SCHEMBL9466535

SCHEMBL9466535

C(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 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
SCHEMBL4909471 0.75 MIF (0.60) MIFALDH1A1
SCHEMBL7435006 0.67 CA2 (0.40) ALDH1A1CA2CA4CA5A
SCHEMBL10863572 0.67 MIF (0.50) MIFALDH1A1
SCHEMBL17067443 0.67 MIF (0.50) MIFALDH1A1
SCHEMBL21398528 0.67 MIF (0.50) MIFALDH1A1
SCHEMBL5925 0.66
Benzene SCHEMBL11510532 0.66 MIF (0.55) MIFALDH1A1
SCHEMBL1332539 0.66
SCHEMBL245090 0.66 MIF (0.55) MIFALDH1A1
SCHEMBL19459346 0.66 MIF (0.55) MIFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105267-B1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN SCHERING AKTIENGESELLSCHAFT (DE) 1986-12-10 EP claimed
EP-0105267-A1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN. SCHERING AG (DE) 1984-04-18 EP claimed
WO-1983001449-A1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN VORBRÜGGEN, Helmut 1983-04-28 WO claimed
US-5235072-A 2-OXABICYCLO(2,2,1)HEPTANE DERIVATIVES AND PHARMACEUTICAL SCHERING AKTIENGSELLSCHAFT (DE) 1993-08-10 US disclosed
EP-0358290-B1 2-Oxa-bicyclo[2.2.1]heptane derivatives and medicines containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-03 EP disclosed
WO-1990002740-A1 2-OXA-BICYCLO[2.2.1]HEPTANE DERIVATIVES AND DRUGS CONTAINING SAID COMPOUNDS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-03-22 WO disclosed
EP-0358290-A1 2-Oxa-bicyclo[2.2.1]heptane derivatives and medicines containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-14 EP disclosed
EP-0105267-B1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN SCHERING AKTIENGESELLSCHAFT (DE) 1986-12-10 EP disclosed
EP-0105267-B1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN SCHERING AKTIENGESELLSCHAFT (DE) 1986-12-10 EP disclosed
US-4554363-A Process for the preparation of carbacyclin intermediates SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-19 US disclosed
US-4554363-A Process for the preparation of carbacyclin intermediates SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-19 US disclosed
EP-0105267-A1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN. SCHERING AG (DE) 1984-04-18 EP disclosed
EP-0105267-A1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN. SCHERING AG (DE) 1984-04-18 EP disclosed
WO-1983001449-A1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN VORBRÜGGEN, Helmut 1983-04-28 WO disclosed
WO-1983001449-A1 METHOD FOR THE PREPARATION OF INTERMEDIARY COMPOUNDS OF CARBACYCLIN VORBRÜGGEN, Helmut 1983-04-28 WO disclosed