SCHEMBL6203914

SCHEMBL6203914

O=C(Nc1cccc(-c2n[nH]cc2-c2nc3ncccc3o2)c1)c1csc(-c2ccncc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
HPGD P15428 4/20 0.52
GAA P10253 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
HSD17B10 Q99714 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL6203431 0.82 GAA (0.60) KDM4EHPGDGAAKMT2ATP53
SCHEMBL6085752 0.79 MAPT (0.48) KDM4EHPGDGAAKMT2AALDH1A1
SCHEMBL6201149 0.78 GAA (0.54) KDM4EHPGDGAAKMT2ATP53
SCHEMBL6203549 0.77 SMN1; SMN2 (0.52) KDM4EHPGDGAAKMT2ATP53
SCHEMBL6202061 0.77 FAAH (0.58) KDM4EHPGDGAAKMT2ATP53
SCHEMBL6085923 0.76 TP53 (0.47) KDM4EHPGDGAAKMT2ATP53
SCHEMBL6087310 0.76 MAPT (0.48) KDM4EKMT2ATP53ALDH1A1LMNA
SCHEMBL1856453 0.75 GRM4 (0.53) KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL6203082 0.74 HSD17B10 (0.56) KDM4EHPGDGAAKMT2ATP53
SCHEMBL6203041 0.74 FAAH (0.50) KDM4EHPGDGAAKMT2ATP53

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed