SCHEMBL8157364

SCHEMBL8157364

N#Cc1cc(C(c2c[nH]cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
LRRK2 Q5S007 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
CYP19A1 P11511 1/20 0.33
GALR3 O60755 1/20 0.33
GAA P10253 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
GRM5 P41594 1/20 0.33
MCL1 Q07820 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL8155413 0.91 ALDH1A1 (0.36) ROCK2ROCK1LRRK2KDM4EALDH1A1
SCHEMBL8149150 0.89 NR3C1 (0.35) KDM4EALDH1A1HPGDCYP19A1NR3C1
SCHEMBL7677950 0.83 CYP11B1 (0.36)
SCHEMBL8155536 0.81 IMPDH2 (0.36) PGR
SCHEMBL5891827 0.80 CYP19A1 (0.36) CYP19A1NR3C1
SCHEMBL7669882 0.79 VNN1 (0.35) ALDH1A1CYP19A1
SCHEMBL6775340 0.79 BRS3 (0.33) ALDH1A1
SCHEMBL8150877 0.77 CYP2D6 (0.35)
SCHEMBL6781368 0.74 AXL (0.39) GAAGABRG2GABRB3GABRA5GABRA3
SCHEMBL7663652 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
US-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed