SCHEMBL8734028

SCHEMBL8734028

O=C(O)c1cn(CCO)c2c(OC(F)F)c(N3CCN(c4nc5ccccc5s4)CC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
TOP1 P11387 6/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
MAPK1 P28482 2/20 0.39
ADRA2B P18089 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
SORD Q00796 1/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 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
SCHEMBL8735884 0.92 KDM4E (0.45) KDM4ETOP1RAB9ANPC1MAPK1
SCHEMBL8734012 0.92 KDM4E (0.44) KDM4ETOP1RAB9ANPC1MAPK1
SCHEMBL8736433 0.91 TOP1 (0.50) KDM4ETOP1RAB9ANPC1MAPK1
SCHEMBL8733661 0.89 KDM4E (0.42) KDM4ETOP1RAB9ANPC1MAPK1
SCHEMBL8733875 0.81 RAB9A (0.41) RAB9ANPC1MAPK1KMT2ALMNA
SCHEMBL8732189 0.80 NPC1 (0.45) KDM4ERAB9ANPC1MAPK1ADRA2B
SCHEMBL8735878 0.79 MAPT (0.45) KDM4ERAB9ANPC1MAPK1ADRA2B
SCHEMBL8735589 0.77 KDM4E (0.59) KDM4ETOP1KMT2ALMNAHSD17B10
SCHEMBL8733517 0.76 RAB9A (0.43) KDM4ERAB9ANPC1MAPK1ADRA2B
SCHEMBL8733989 0.74 KDM4E (0.47) KDM4ETOP1NPC1KMT2ALMNA

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-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP claimed
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed