SCHEMBL28046254

SCHEMBL28046254

CS(=O)(=O)Nc1ccc(N2CCC(O)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.56
JAK3 P52333 1/20 0.56
ADRB1 P08588 6/20 0.47
ADRB2 P07550 2/20 0.45
ADRB3 P13945 2/20 0.45
OPRK1 P41145 3/20 0.43
CYP2D6 P10635 2/20 0.43
HDAC1 Q13547 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
PTK2 Q05397 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RORC P51449 3/20 0.43
AR P10275 1/20 0.41
KCNH2 Q12809 1/20 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
SCHEMBL7301452 0.91 JAK2 (0.64) JAK2JAK3ADRB1ADRB2ADRB3
SCHEMBL12408703 0.80 GPR119 (0.52) RORCAR
SCHEMBL31402902 0.80 GPR119 (0.52) RORCAR
SCHEMBL28704613 0.79 JAK2 (0.49) JAK2JAK3ADRB1ADRB2ADRB3
SCHEMBL5856552 0.78 KMT2A (0.62) ALDH1A1
SCHEMBL28824858 0.76 MAPT (0.60) ALDH1A1
SCHEMBL10134049 0.76 AR (0.46) JAK2HDAC1RORCAR
SCHEMBL16261606 0.74 MAPT (0.63) ALDH1A1
SCHEMBL16982561 0.74 OPRK1 (0.54) JAK2JAK3OPRK1CYP2D6OPRM1
SCHEMBL9039833 0.74 AR (0.49) ADRB1RORCAR

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-105209123-A Dyeing or lightening process using a composition rich in fatty substances comprising an alcohol having at least 20 carbons, compositions and device OREAL 2015-12-30 CN disclosed