SCHEMBL7744190

SCHEMBL7744190

N#Cc1ccc(Cn2cncc2Cn2cnc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.60
CYP11B2 P19099 10/20 0.60
TNF P01375 1/20 0.55
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 2/20 0.53
CYP19A1 P11511 1/20 0.52
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
IDO1 P14902 1/20 0.51
PGGT1B P53609 1/20 0.51
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
Hydrochloric Acid SCHEMBL8484191 0.99 CYP11B1 (0.58) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3496995 0.89 CYP11B1 (0.69) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL7738231 0.81 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8482554 0.81 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7738190 0.81 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL8484556 0.81 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7744118 0.81 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8483250 0.80 CYP11B1 (0.55) CYP11B1CYP11B2TNFCYP19A1FNTA
SCHEMBL30233079 0.79 CYP11B1 (0.54) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL10588300 0.78 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1FNTAFNTB

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 8 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
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US 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
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed