SCHEMBL7744172

SCHEMBL7744172

N#Cc1ccc(CC(c2cnc[nH]2)c2cc3c(-c4ccccc4)cccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.46
CSF1R P07333 1/20 0.43
IDO1 P14902 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
BRS3 P32247 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CPA1 P15085 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP2 P50579 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL7743443 0.86 CYP19A1 (0.45) CYP19A1CSF1RIDO1HRH3CPA1
SCHEMBL7738166 0.83 CYP19A1 (0.51) CYP19A1CSF1RIDO1HRH3CYP11B1
SCHEMBL7744230 0.75 CYP19A1 (0.42) CYP19A1IDO1HRH3FNTAFNTB
SCHEMBL7743543 0.75 IDO1 (0.51) CYP19A1CSF1RIDO1HRH3
SCHEMBL7703567 0.71 HRH3 (0.55) CYP19A1HRH3CPA1
Hydrochloric Acid SCHEMBL8661078 0.69 AR (0.43) CYP19A1HRH3FNTAFNTB
SCHEMBL7703563 0.68 HRH3 (0.55) CYP19A1IDO1HRH3CPA1
SCHEMBL5891622 0.68 EP300 (0.42) CYP19A1IDO1HRH3FNTAFNTB
Hydrochloric Acid SCHEMBL7474426 0.67 HRH3 (0.54) CYP19A1HRH3CYP11B1CYP11B2CPA1
SCHEMBL8368896 0.66 CYP19A1 (0.61) CYP19A1HRH3CPA1

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
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