SCHEMBL7970467

SCHEMBL7970467

CS(=O)(=O)OCc1ccc(C#N)cc1OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
MAOB P27338 1/20 0.41
PTGER1 P34995 1/20 0.40
GSTP1 P09211 1/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
ACLY P53396 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
AR P10275 1/20 0.38
SLC6A9 P48067 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL7983941 0.81 MAOB (0.47) CYP19A1PDCD1CD274MAOBPTGER1
SCHEMBL6286312 0.74 IDO1 (0.52) CYP19A1GSTP1MMP13MEN1KMT2A
SCHEMBL3712674 0.73 TRPV4 (0.39)
SCHEMBL4851116 0.73 HTR1A (0.56) CYP19A1PTGER1ARMEN1KMT2A
SCHEMBL1979106 0.72 CYP2A6 (0.48) CYP19A1MAOBAR
SCHEMBL6489248 0.72 HPGD (0.42) ACLY
SCHEMBL6490398 0.72 MAOB (0.55) CYP19A1PDCD1CD274MAOBPTGER1
SCHEMBL6477203 0.72 MAOB (0.55) CYP19A1PDCD1CD274MAOBPTGER1
SCHEMBL6477064 0.72 MAOB (0.55) CYP19A1MAOBPTGER1MRGPRX4AR
SCHEMBL18300583 0.72 KDM5A (0.41) MAOBMRGPRX4AR

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