SCHEMBL29448248

SCHEMBL29448248

O=C(Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1NC(=O)Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.48
RAB9A P51151 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
POLB P06746 3/20 0.47
GAA P10253 1/20 0.47
TRPV1 Q8NER1 4/20 0.47
GRIK1 P39086 1/20 0.46
HPGD P15428 1/20 0.45
HDAC1 Q13547 1/20 0.45
TSHR P16473 1/20 0.45
IDH2 P48735 1/20 0.44
MAPK1 P28482 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL28704020 1.00 KMT2A (0.48) KMT2AKDM4EMEN1ALDH1A1NPC1
SCHEMBL29448253 0.85 NAMPT (0.54) KMT2AALDH1A1NPC1HPGDHDAC1
SCHEMBL28705140 0.85 NAMPT (0.54) KMT2AALDH1A1NPC1HPGDHDAC1
SCHEMBL28696239 0.81 HPGD (0.51) KMT2AKDM4EMEN1ALDH1A1NPC1
SCHEMBL29448250 0.81 HPGD (0.51) KMT2AKDM4EMEN1ALDH1A1NPC1
SCHEMBL29448252 0.79 PGR (0.64) KMT2AMEN1HPGDNAMPT
SCHEMBL28700258 0.79 PGR (0.64) KMT2AMEN1HPGDNAMPT
SCHEMBL29448260 0.79 HPGD (0.69) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL28691820 0.77 NAMPT (0.51) KMT2ANPC1RAB9AHPGDTSHR
SCHEMBL29448245 0.77 NAMPT (0.51) KMT2ANPC1RAB9AHPGDTSHR

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
CN-110267939-B Thermosensitive recording material 奥古斯特科勒纸厂欧洲公司 2022-03-15 CN disclosed