SCHEMBL8307092

SCHEMBL8307092

N#Cc1ccc(Cn2ccnc2OC(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
HSP90B1 P14625 1/20 0.45
CYP11B1 P15538 11/20 0.43
CYP11B2 P19099 11/20 0.43
CYP19A1 P11511 4/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALKBH1 Q13686 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1507823 0.74 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1HDAC8HDAC6
SCHEMBL9164995 0.74 KIF11 (0.51) CYP11B1CYP11B2CYP19A1HDAC8HDAC6
SCHEMBL28714480 0.74 RAB9A (0.47) HSP90AA1HSP90B1CYP11B1CYP11B2CYP19A1
SCHEMBL28327501 0.72 F2 (0.46) CYP11B1CYP11B2HDAC6KDM4EPOLB
SCHEMBL1507984 0.72 HDAC8 (0.49) HSP90AA1HSP90B1CYP11B1CYP11B2CYP19A1
SCHEMBL1507767 0.72 CYP19A1 (0.51) HSP90AA1HSP90B1CYP11B1CYP11B2CYP19A1
SCHEMBL28710568 0.71 MAPT (0.51) HSP90AA1HSP90B1CYP11B1CYP11B2CYP19A1
SCHEMBL11534586 0.71 LMNA (0.49) HSP90AA1HSP90B1ALKBH1SMN1; SMN2CYP3A4
SCHEMBL1507797 0.70 BRD4 (0.51) CYP11B1CYP11B2CYP19A1HDAC8HDAC6
SCHEMBL7855826 0.70 LMNA (0.59) HSP90AA1HSP90B1CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed