SCHEMBL4046773

SCHEMBL4046773

Cc1ncsc1OC(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PIK3CD O00329 1/20 0.33
▸ VHL P40337 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ MAPT P10636 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
SCHEMBL3720584 0.84 KDM4E (0.53) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL27650439 0.82 KDM4E (0.47) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL26125291 0.78 KDM4E (0.43) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL28615399 0.74 KMT2A (0.46) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL162137 0.74 — —
SCHEMBL10870489 0.73 KDM4E (0.37) KDM4EPKMPIK3CDNAMPT
SCHEMBL8638901 0.73 PKM (0.39) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL27564669 0.73 KDM4E (0.39) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL28274610 0.73 PKM (0.39) KDM4EPKMALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL7967935 0.72 PKM (0.64) KDM4EPKMALDH1A1MEN1LMNA

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
EP-1140908-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2009-03-04 — — EP disclosed
EP-0199675-A1 Heterocyclic penem compounds CIBA-GEIGY AG (CH) 1986-10-29 — — EP disclosed
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