SCHEMBL7984618

SCHEMBL7984618

CC(Oc1cc(C#N)ccc1CBr)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.41
FNTB P49356 4/20 0.41
PGGT1B P53609 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.36
CYP19A1 P11511 3/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ACLY P53396 2/20 0.35
MCHR1 Q99705 1/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
STK10 O94804 2/20 0.34
SLK Q9H2G2 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL7970029 0.89 FNTA (0.43) FNTAFNTBPGGT1BPTGDR2CYP19A1
SCHEMBL3499427 0.80 FNTA (0.47) FNTAFNTBPGGT1BCYP19A1CYP11B1
Hydrochloric Acid SCHEMBL7970985 0.79 FNTA (0.46) FNTAFNTBPGGT1BCYP19A1CYP11B1
SCHEMBL5900831 0.78 KCNH2 (0.42) SLC6A4HTR2AKCNH2
SCHEMBL7984620 0.75 CYP19A1 (0.54) FNTAFNTBPGGT1BPTGDR2CYP19A1
SCHEMBL7988110 0.75 HPGD (0.41) PTGDR2
SCHEMBL22481552 0.74 KCNH2 (0.38) SLC6A4HTR2AKCNH2
SCHEMBL411153 0.72 AR (0.47) SLC6A4HTR2AKCNH2CYP11B1CYP11B2
SCHEMBL3752258 0.70 RORC (0.54) PTGDR2SLC6A2SLC6A4KCNH2
SCHEMBL4187522 0.70 RORC (0.54) PTGDR2SLC6A2SLC6A4KCNH2

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