SCHEMBL27719945

SCHEMBL27719945

CCOC(=S)Sc1ccc(Cl)c(CN)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
PNMT P11086 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL27699323 0.83 ALDH1A1 (0.32) SMN1; SMN2KDM4EMAPTPKMTDP1
SCHEMBL596873 0.82 MCL1 (0.36) SMN1; SMN2TSHRKDM4EMAPTPKM
SCHEMBL1632856 0.79 MAPT (0.35) SMN1; SMN2TSHRKDM4EMAPTPKM
SCHEMBL1633719 0.78 ALDH1A1 (0.41) TSHRKDM4EMAPTPKMALDH1A1
SCHEMBL28573075 0.78 LMNA (0.41) SMN1; SMN2TSHRMAPTALDH1A1HPGD
SCHEMBL22816343 0.77 ALDH1A1 (0.35) SMN1; SMN2TSHRKDM4EMAPTPKM
SCHEMBL4299182 0.74 MEN1 (0.47) SMN1; SMN2MAPTALDH1A1HPGDKMT2A
SCHEMBL19778352 0.73 ALDH1A1 (0.34) SMN1; SMN2TSHRKDM4EMAPTPKM
SCHEMBL10941412 0.72 ALDH1A1 (0.35) SMN1; SMN2KDM4EMAPTPKMTDP1
SCHEMBL1017813 0.71 ABL1 (0.38) TSHRKDM4EMAPTTDP1CYP4F2

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
CN-101163678-B Pyridylmethylsulfone derivative DAIICHI SANKYO CO LTD 2012-01-04 CN disclosed
CN-101163678-A Pyridylmethylsulfone derivative DAIICHI SANKYO CO LTD (JP) 2008-04-16 CN disclosed