SCHEMBL9687795

SCHEMBL9687795

CNc1nc(-c2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
AR P10275 2/20 0.57
VCP P55072 1/20 0.55
KDM1A O60341 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
SIRT5 Q9NXA8 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
TRPA1 O75762 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TRPV3 Q8NET8 1/20 0.49
TRPV4 Q9HBA0 1/20 0.49

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
SCHEMBL28911477 0.86 CFTR (0.60) CFTRMEN1KMT2AARVCP
SCHEMBL30118262 0.86 CFTR (0.60) CFTRMEN1KMT2AARVCP
SCHEMBL18724400 0.83 ABL1 (0.69) CFTRMEN1KMT2AKDM4EALDH1A1
SCHEMBL24590355 0.82 NPC1 (0.64) MEN1KMT2AARVCPKDM1A
SCHEMBL12881839 0.81 MAPT (0.62) MEN1KMT2AARKDM4EALDH1A1
SCHEMBL2405752 0.81 RECQL (0.60) CFTRMEN1KMT2AARKDM1A
SCHEMBL3609002 0.80 CFTR (0.60) CFTRMEN1KMT2AARVCP
SCHEMBL8356874 0.80 MEN1 (0.71) MEN1KMT2AKDM1A
SCHEMBL2025083 0.80 AR (0.57) MEN1KMT2AARKDM1AALDH1A1
SCHEMBL23553882 0.79 VCP (0.71) CFTRMEN1KMT2AVCPKDM4E

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-3153511-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2017-04-12 EP disclosed
EP-0473980-A1 Process for the production of 3-alkoxy-2-heteroazolylamino-acrylic acid esters BAYER AG (DE) 1992-03-11 EP disclosed