SCHEMBL7648992

SCHEMBL7648992

Cc1cc(-c2cc(C)c(C#N)cc2C)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.48
▸ CYP11B2 P19099 2/20 0.48
▸ AR P10275 8/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ EGLN2 Q96KS0 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PGR P06401 4/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL13001686 0.83 TSHR (0.52) CYP11B1CYP11B2ARS1PR1EGLN2
SCHEMBL7648994 0.81 CYP11B1 (0.46) CYP11B1CYP11B2ARS1PR1EGLN2
SCHEMBL27784607 0.81 KIF11 (0.43) CYP11B1CYP11B2TSHR
SCHEMBL26391852 0.80 AR (0.53) CYP11B1CYP11B2ARS1PR1EGLN2
SCHEMBL21188814 0.79 TSHR (0.55) CYP11B1CYP11B2AREGLN2TSHR
SCHEMBL14173712 0.78 AR (0.50) CYP11B1CYP11B2ARPGR
SCHEMBL26391841 0.76 AR (0.61) CYP11B1CYP11B2ARS1PR1EGLN2
SCHEMBL8338719 0.76 AR (0.61) CYP11B1CYP11B2ARS1PR1EGLN2
SCHEMBL119203 0.76 TSHR (0.50) ARS1PR1EGLN2TSHR
SCHEMBL29306060 0.75 CYP11B1 (0.41) CYP11B1CYP11B2ARS1PR1EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102738-B1 METHOD FOR THE ACIDIC OR ALKALINE SAPONIFICATION OF BIPHENYL NITRILES LEHMANN BERND DR (DE) 2002-12-04 — — EP disclosed
EP-1102738-A1 METHOD FOR THE ACIDIC OR ALKALINE SAPONIFICATION OF BIPHENYL NITRILES Great Lakes Chemical Konstanz GmbH (DE) 2001-05-30 — — EP disclosed
WO-2000003964-A1 METHOD FOR THE ACIDIC OR ALKALINE SAPONIFICATION OF BIPHENYL NITRILES GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 2000-01-27 — — WO disclosed
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