SCHEMBL7980280

SCHEMBL7980280

N#Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1Oc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.42
FNTB P49356 11/20 0.42
PGGT1B P53609 11/20 0.42
RORC P51449 3/20 0.38
AR P10275 1/20 0.37
SCN9A Q15858 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP19A1 P11511 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL7984249 0.81 S1PR3 (0.38) RORCCYP19A1
SCHEMBL7981909 0.78 ACSS2 (0.38) RORCCYP19A1
SCHEMBL3498531 0.73 CYP19A1 (0.54) FNTAFNTBPGGT1BRORCAR
SCHEMBL2915674 0.72 CYP3A4 (0.41) FNTAFNTBPGGT1BCYP19A1
SCHEMBL7984344 0.70 CYP19A1 (0.37) RORCCYP19A1CNR1CNR2
SCHEMBL3500514 0.70 FNTA (0.57) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7981694 0.69 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL5750972 0.67 ACSS2 (0.45) CYP19A1CNR1
SCHEMBL7710617 0.66 CYP11B1 (0.34) ARSLC22A12
SCHEMBL1481864 0.65 KIF11 (0.39) RORCCYP19A1

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