SCHEMBL7984102

SCHEMBL7984102

Cc1ccc(C#N)c(Oc2cccc(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.56
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
PGGT1B P53609 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
CYP19A1 P11511 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC22A12 Q96S37 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL6812607 0.88 AR (0.63) ARFNTAFNTBPGGT1BL3MBTL1
SCHEMBL21585883 0.80 FNTA (0.53) ARFNTAFNTBPGGT1BCYP19A1
SCHEMBL15869707 0.80 L3MBTL1 (0.58) L3MBTL1SLC6A4HTR2AKCNH2SLC6A2
SCHEMBL23830071 0.79 AR (0.53) ARFNTAFNTBPGGT1BCYP19A1
SCHEMBL5344907 0.79 AR (0.52) ARCYP19A1
SCHEMBL5345762 0.78 AR (0.51) ARFNTAFNTBPGGT1BCYP19A1
SCHEMBL6812604 0.77 FNTA (0.47) ARFNTAFNTBPGGT1BL3MBTL1
SCHEMBL28923889 0.76 AR (0.68) ARFNTAFNTBPGGT1BCYP19A1
SCHEMBL11862979 0.76 L3MBTL1 (0.58) L3MBTL1SLC6A4HTR2AKCNH2SLC6A2
SCHEMBL7075721 0.75 AR (0.49) ARFNTAFNTBPGGT1BCYP19A1

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
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed