SCHEMBL22098331

SCHEMBL22098331

CC1CCC(N(C)S(C)(=O)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL13744664 1.00 CYP4F2 (0.36) CYP4F2CYP4A11PER2CRY1CRY2
SCHEMBL14295197 0.90
Hydrochloric Acid SCHEMBL4566681 0.87 CYP4F2 (0.35) CYP4F2CYP4A11KDM4EALDH1A1MEN1
SCHEMBL15867020 0.80 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL4713084 0.79 CYP4F2 (0.33) CYP4F2CYP4A11KDM4EALDH1A1MEN1
SCHEMBL14500716 0.79 CYP4F2 (0.33) CYP4F2CYP4A11KDM4EALDH1A1MEN1
SCHEMBL4713086 0.79 CYP4F2 (0.33) CYP4F2CYP4A11KDM4EALDH1A1MEN1
SCHEMBL762461 0.78 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL12385811 0.77 JAK2 (0.32) KDM4EALDH1A1MEN1KMT2A
SCHEMBL12548932 0.76 CYP4F2 (0.39) CYP4F2CYP4A11KDM4EALDH1A1MEN1

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
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed