SCHEMBL7950137

SCHEMBL7950137

COC1CCN([S+]([O-])c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIM1 P11309 3/20 0.39
PIM2 Q9P1W9 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
TP53 P04637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
DRD2 P14416 1/20 0.36
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BACE1 P56817 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL7943305 0.83 IDH2 (0.44) MEN1KMT2APIM1PIM2DRD2
SCHEMBL8093004 0.76 ALOX5 (0.37) MEN1KMT2ANOTUMALDH1A1
SCHEMBL7950089 0.74 CARM1 (0.39) CARM1PRMT6ALDH1A1BACE1SLC6A4
SCHEMBL7945321 0.74 CARM1 (0.39) CARM1PRMT6ALDH1A1BACE1SLC6A4
SCHEMBL8101846 0.73 ALOX5 (0.35) MEN1KMT2ANOTUMALDH1A1
SCHEMBL31587536 0.71 L3MBTL1 (0.46) MEN1KMT2APIM1CARM1PRMT6
SCHEMBL24194641 0.70 NOTUM (0.53) PIM1NOTUM
SCHEMBL7951897 0.69 KMT2A (0.61) MEN1KMT2ATP53
SCHEMBL22813701 0.68 HTR2C (0.42) NOTUMALDH1A1
SCHEMBL7944872 0.68 KMT2A (0.51) MEN1KMT2ATP53ALDH1A1

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-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed