SCHEMBL7461591

SCHEMBL7461591

N#Cc1ccc(Cn2cncc2CNc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.68
FNTB P49356 12/20 0.68
PGGT1B P53609 7/20 0.68
CYP11B1 P15538 3/20 0.55
CYP11B2 P19099 3/20 0.55
KCNH2 Q12809 1/20 0.52

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 SCHEMBL7455926 0.99 FNTA (0.67) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7559208 0.84 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL12519094 0.81 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL5935187 0.81 FNTA (0.82) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7259778 0.81 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6985868 0.77 CYP11B1 (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7259741 0.77 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7255008 0.76 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6708602 0.76 CYP11B1 (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9092712 0.75 CYP11B1 (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP claimed
JP-2001518281-A 2001-10-16 JP claimed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP claimed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010329-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 WO claimed
US-6103487-A DETECTING MODULATORS THAT SUPPRESS THE ACTIVITY OF A TRANSFERASES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 2000-08-15 US disclosed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP disclosed
WO-2000016626-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010329-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 WO disclosed