SCHEMBL11533903

SCHEMBL11533903

COCn1ccnc1C(O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.43
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 2/20 0.38
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
ALOX15B O15296 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACSS2 Q9NR19 2/20 0.35
FPR2 P25090 6/20 0.35
NOS1 P29475 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 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
SCHEMBL11534182 0.95 KMT2A (0.48) AHRKMT2AKCNH2ALOX15BL3MBTL1
SCHEMBL11531498 0.89 USP2 (0.41) AHRKMT2AACSS2
SCHEMBL11531933 0.86 KMT2A (0.45) AHRKMT2AKCNH2ACSS2CYP3A4
SCHEMBL11536188 0.86 CYP19A1 (0.41) KMT2AKCNH2
SCHEMBL11537324 0.84 KMT2A (0.48) AHRKMT2AACSS2
SCHEMBL11534499 0.82 KCNH2 (0.40) KMT2AKCNH2
SCHEMBL11531880 0.76 KMT2A (0.47) KMT2AALOX15BL3MBTL1CYP3A4
SCHEMBL11534280 0.76 KMT2A (0.47) KMT2AACSS2
SCHEMBL11540363 0.75 CYP19A1 (0.50) KCNH2CYP3A4CYP3A5
SCHEMBL20866508 0.72 KMT2A (0.59) KMT2AACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4152441-A Analgesic imidazolemethanols GIST-BROCADES N.V. (NL) 1979-05-01 US disclosed