SCHEMBL9958075

SCHEMBL9958075

O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc(NC(=O)ON3CCC3)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MET P08581 4/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
GAA P10253 3/20 0.40
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
RIOK2 Q9BVS4 1/20 0.39
MAPK1 P28482 1/20 0.39
KDR P35968 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL13861102 0.89 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4335435 0.87 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL13861093 0.87 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL13861099 0.86 MEN1 (0.44) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4343929 0.85 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4324360 0.84 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4339451 0.83 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4335519 0.83 MEN1 (0.47) MEN1KMT2AMETKITPDGFRA
SCHEMBL4335063 0.83 MET (0.45) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4335093 0.82 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9

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
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP claimed