SCHEMBL8735878

SCHEMBL8735878

COc1ccc2nc(N3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C)c5c4OC(F)F)CC3)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 5/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 2/20 0.40
MITF O75030 1/20 0.40
ADRA2B P18089 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCRTR2 O43614 5/20 0.39
HCRTR1 O43613 3/20 0.39
GAA P10253 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL8732189 0.90 NPC1 (0.45) MAPTKDM4EMAPK1ADRA2BALDH1A1
SCHEMBL8733661 0.89 KDM4E (0.42) MAPTTP53LMNAKDM4EMAPK1
SCHEMBL27330797 0.82 KDM4E (0.44) LMNAKDM4EMAPK1ADRA2BALDH1A1
SCHEMBL8735884 0.81 KDM4E (0.45) MAPTLMNAKDM4EMAPK1ADRA2B
SCHEMBL8734012 0.80 KDM4E (0.44) MAPTLMNAKDM4EMAPK1ALDH1A1
SCHEMBL8734028 0.79 KDM4E (0.45) MAPTLMNAKDM4EMAPK1ADRA2B
SCHEMBL8736433 0.78 TOP1 (0.50) MAPTLMNAKDM4EMAPK1ALDH1A1
SCHEMBL8879095 0.78 KDM4E (0.48) LMNAKDM4EMAPK1ADRA2BALDH1A1
SCHEMBL8878202 0.77 KDM4E (0.44) KDM4EMAPK1ADRA2BALDH1A1HPGD
SCHEMBL8733517 0.74 RAB9A (0.43) MAPTTP53LMNAKDM4EMAPK1

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