SCHEMBL274323

SCHEMBL274323

CCN(CC)CCSCc1cccc(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.45
▸ CA2 P00918 1/20 0.41
▸ PARP1 P09874 7/20 0.41
▸ IDH1 O75874 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ BCHE P06276 1/20 0.37

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
SCHEMBL8173564 0.79 MEP1B (0.66) MEP1BPARP1IDH1BRD4BRD3
SCHEMBL28822119 0.79 KCNH2 (0.50) MEP1BPARP1IDH1LMNATSHR
SCHEMBL20668077 0.75 PARP1 (0.52) MEP1BPARP1IDH1MEN1KMT2A
SCHEMBL21172166 0.74 KCNH2 (0.48) LMNAMAPTCHRM2CHRM4CHRM1
SCHEMBL45866 0.72 PARP1 (0.57) MEP1BPARP1IDH1TSHRMAPT
Hydrochloric Acid SCHEMBL27603084 0.71 PARP1 (0.55) MEP1BPARP1IDH1TSHRMAPT
SCHEMBL31487553 0.70 PARP1 (0.53) MEP1BPARP1IDH1FOLH1
SCHEMBL7771633 0.70 PARP1 (0.53) MEP1BPARP1IDH1FOLH1
SCHEMBL30969284 0.69 ESR1 (0.64) PARP1LMNATSHRMAPTMEN1
SCHEMBL2108942 0.69 MEP1B (0.59) MEP1BPARP1IDH1TSHRMAPT

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
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 — — US disclosed
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