SCHEMBL7743443

SCHEMBL7743443

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.45
HRH3 Q9Y5N1 2/20 0.39
CSF1R P07333 1/20 0.38
IDO1 P14902 2/20 0.36
CPA1 P15085 1/20 0.35
AKT1 P31749 1/20 0.33

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
SCHEMBL7744172 0.86 CYP19A1 (0.46) CYP19A1HRH3CSF1RIDO1CPA1
SCHEMBL7738166 0.83 CYP19A1 (0.51) CYP19A1HRH3CSF1RIDO1CPA1
SCHEMBL7743543 0.80 IDO1 (0.51) CYP19A1HRH3CSF1RIDO1
SCHEMBL7744094 0.73 CYP19A1 (0.40) CYP19A1HRH3CPA1
SCHEMBL7703567 0.72 HRH3 (0.55) CYP19A1HRH3CPA1
SCHEMBL7703563 0.70 HRH3 (0.55) CYP19A1HRH3IDO1CPA1
Hydrochloric Acid SCHEMBL7474426 0.69 HRH3 (0.54) CYP19A1HRH3CPA1
SCHEMBL7738290 0.68 CYP19A1 (0.38) CYP19A1HRH3
SCHEMBL7053727 0.67 CPA1 (0.71) CYP19A1HRH3CPA1
SCHEMBL7483881 0.66 FNTA (0.38) CYP19A1CPA1AKT1

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 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