SCHEMBL26613992

SCHEMBL26613992

Cn1nc(C(F)(F)F)cc1C(=O)NCc1cnc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
GALR3 O60755 2/20 0.43
RAB9A P51151 1/20 0.43
CTSL P07711 1/20 0.42
KCNT1 Q5JUK3 5/20 0.41

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
SCHEMBL26613937 0.81 KCNT1 (0.53) TRPV1ALDH1A1CYP3A4HSD17B10POLB
SCHEMBL26613914 0.79 KCNT1 (0.47) TRPV1ALDH1A1CYP3A4HSD17B10POLB
SCHEMBL26613961 0.78 KCNT1 (0.56) TRPV1POLBKCNT1KCNQ1KCNH2
SCHEMBL26613909 0.77 KCNT1 (0.47) TRPV1ALDH1A1CYP3A4HSD17B10POLB
SCHEMBL26613915 0.76 KCNT1 (0.52) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL26613900 0.76 KCNT1 (0.52) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL26613995 0.72 KCNT1 (0.56) TRPV1POLBKCNT1KCNQ1KCNH2
SCHEMBL26617060 0.71 KCNT1 (0.58) POLBKCNT1KCNQ1KCNH2CACNA1C
SCHEMBL15646412 0.69 NAMPT (0.61) CYP3A4
SCHEMBL26739478 0.69 KCNT1 (0.53) TRPV1ALDH1A1CYP3A4HSD17B10POLB

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
WO-2023211854-A1 KCNT1 INHIBITORS COMPRISING A THIAZOLE CORE AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2023-11-02 WO disclosed