SCHEMBL4773432

SCHEMBL4773432

NC(=O)CCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
TRPV1 Q8NER1 1/20 0.45
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.42
NAMPT P43490 3/20 0.40
ITK Q08881 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
CSF1R P07333 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
P2RX7 Q99572 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
SCHEMBL4777334 0.82 SCN3A (0.46) MEN1KMT2AALDH1A1NAMPTCSF1R
SCHEMBL4777423 0.80 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1TRPV1
SCHEMBL4776425 0.75 TDP1 (0.42) MEN1KMT2AALDH1A1NAMPTITK
SCHEMBL4773435 0.74 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TRPV1HSD17B10
SCHEMBL31236179 0.73 TRPV1 (0.51) TRPV1NAMPTITKSLC40A1CSF1R
SCHEMBL4776574 0.70 P2RX7 (0.42) TRPV1NAMPTP2RX7
SCHEMBL4773151 0.69 MAPT (0.44) MEN1KMT2AALDH1A1NAMPTITK
SCHEMBL4777412 0.69 EPHX2 (0.46) ALDH1A1NAMPTNPC1RAB9A
SCHEMBL4881694 0.69 DGAT2 (0.40) KMT2ATRPV1ITKP2RX7
SCHEMBL4768151 0.69 MAPT (0.49) MEN1KMT2AALDH1A1TRPV1NAMPT

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-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed