SCHEMBL7743676

SCHEMBL7743676

N#Cc1ccc(Cc2ncc(Cc3cccc4[nH]nnc34)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 8/20 0.42
HRH3 Q9Y5N1 1/20 0.36
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TYMP P19971 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP19A1 P11511 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
SMO Q99835 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
SCHEMBL7743703 0.73 BRS3 (0.45) BRS3HRH3GRIN1GRIN2BKDM4E
SCHEMBL7919393 0.73 BRS3 (0.62) BRS3HRH3GRIN1GRIN2BCYP11B1
SCHEMBL8305740 0.72 BRS3 (0.59) BRS3HRH3CYP11B1CYP11B2
SCHEMBL8482559 0.72 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1
SCHEMBL7129739 0.72 BRS3 (0.52) BRS3HRH3GRIN1GRIN2BMAPT
SCHEMBL10588302 0.72 BRS3 (0.49) BRS3HRH3GRIN1GRIN2BMAPT
SCHEMBL7505077 0.72 LOXL2 (0.49) BRS3HRH3GRIN1GRIN2BKDM4E
SCHEMBL8498703 0.72 BRS3 (0.49) BRS3HRH3GRIN1GRIN2BKDM4E
SCHEMBL7468902 0.72 HRH3 (0.48) BRS3HRH3GRIN1GRIN2BMAPT
Hydrochloric Acid SCHEMBL8521500 0.72 BRS3 (0.61) BRS3HRH3GRIN1GRIN2BCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP claimed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed