SCHEMBL8735884

SCHEMBL8735884

COCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nc5ccccc5s4)CC3)c(OC(F)F)c21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TOP1 P11387 6/20 0.43
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
ADRA2B P18089 1/20 0.38
HPGD P15428 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
SCHEMBL8734028 0.92 KDM4E (0.45) KDM4ETOP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8734012 0.91 KDM4E (0.44) KDM4ETOP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8736433 0.89 TOP1 (0.50) KDM4ETOP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8733661 0.89 KDM4E (0.42) KDM4ETOP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8735878 0.81 MAPT (0.45) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL8732189 0.80 NPC1 (0.45) KDM4ESMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL8733875 0.79 RAB9A (0.41) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8735589 0.78 KDM4E (0.59) KDM4ETOP1LMNAALDH1A1KMT2A
SCHEMBL8878155 0.76 KDM4E (0.47) KDM4ETOP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8733517 0.76 RAB9A (0.43) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A

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