SCHEMBL6004302

SCHEMBL6004302

Oc1cc2cccnc2nc1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
NR4A2 P43354 1/20 0.41
RIPK1 Q13546 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.36
CASP6 P55212 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
DAO P14920 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1692394 0.85 DHODH (0.44) KDM4ERAB9AALDH1A1KMT2ANPC1
SCHEMBL3892242 0.84 COMT (0.43) KDM4EALDH1A1SMN1; SMN2KMT2ARIPK1
SCHEMBL6004749 0.84 CYP1A2 (0.41) KDM4ERAB9AALDH1A1KMT2ANPC1
SCHEMBL6004845 0.84 MAPK14 (0.52) KDM4ERAB9AALDH1A1KMT2ANPC1
SCHEMBL6004768 0.84 KDM4E (0.51) KDM4ERAB9AALDH1A1KMT2ANPC1
SCHEMBL6004176 0.81 SLC22A12 (0.41) TRPV1
SCHEMBL30060806 0.79 KDM4E (0.43) KDM4ERAB9AALDH1A1KMT2ANPC1
SCHEMBL6004865 0.78 L3MBTL1 (0.54) KDM4ERAB9AALDH1A1NPC1L3MBTL1
SCHEMBL28032688 0.74 KDM4E (0.61) KDM4ERAB9AALDH1A1GAAGLA
SCHEMBL3896975 0.74 KDM4E (0.45) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed