SCHEMBL1114989

SCHEMBL1114989

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL1115012 0.91 PTGS2 (0.39) KMT2AALDH1A1PTGS1PTGS2MAPT
SCHEMBL1115143 0.90 PTGS2 (0.38) KMT2ASMN1; SMN2PTGS1PTGS2MAPT
SCHEMBL1115287 0.90 RECQL (0.38) KMT2ASMN1; SMN2PTGS1PTGS2
SCHEMBL1115198 0.90 PTGS2 (0.40) KMT2AKDM4EHSD17B10PTGS1PTGS2
SCHEMBL1115174 0.89 HSD11B1 (0.39) KMT2AALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL1115172 0.88 PTGS2 (0.42) PTGS1PTGS2
SCHEMBL1114969 0.88 PTGS2 (0.36) KMT2APTGS1PTGS2MAPT
SCHEMBL1115302 0.88 PTGS2 (0.41) KMT2AHPGDSMN1; SMN2PTGS1PTGS2
SCHEMBL1115189 0.87 PTGS2 (0.40) ALDH1A1PTGS1PTGS2
SCHEMBL1115111 0.86 PTGS2 (0.50) HPGDHSD17B10PTGS1PTGS2MAPT

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-1567508-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2011-02-02 EP disclosed
EP-1567508-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2011-02-02 EP disclosed
US-6849652-B1 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2005-02-01 US disclosed