SCHEMBL7743543

SCHEMBL7743543

N#Cc1ccc(CC(c2cnc[nH]2)c2cc3cc(Br)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.51
CYP19A1 P11511 8/20 0.44
HRH3 Q9Y5N1 1/20 0.40
CSF1R P07333 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
SCHEMBL7738166 0.86 CYP19A1 (0.51) IDO1CYP19A1HRH3CSF1R
SCHEMBL7743443 0.80 CYP19A1 (0.45) IDO1CYP19A1HRH3CSF1R
SCHEMBL7744172 0.75 CYP19A1 (0.46) IDO1CYP19A1HRH3CSF1R
SCHEMBL8486902 0.73 HRH3 (0.39) IDO1CYP19A1HRH3
SCHEMBL7703567 0.73 HRH3 (0.55) CYP19A1HRH3
SCHEMBL7703563 0.70 HRH3 (0.55) IDO1CYP19A1HRH3
Hydrochloric Acid SCHEMBL7474426 0.69 HRH3 (0.54) CYP19A1HRH3
SCHEMBL7053727 0.68 CPA1 (0.71) CYP19A1HRH3
SCHEMBL7744111 0.67 HRH3 (0.37) IDO1CYP19A1HRH3
SCHEMBL7744150 0.67 HRH3 (0.37) IDO1CYP19A1HRH3

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