SCHEMBL8734012

SCHEMBL8734012

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nc5ccccc5s4)CC3)c(OC(F)F)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
PMP22 Q01453 1/20 0.43
TOP1 P11387 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40

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
SCHEMBL8736433 0.92 TOP1 (0.50) KDM4EALDH1A1TOP1NPC1RAB9A
SCHEMBL8734028 0.92 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL8735884 0.91 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL8733661 0.90 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL8736445 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8733875 0.82 RAB9A (0.41) ALDH1A1HSD17B10NPC1RAB9ALMNA
SCHEMBL8735561 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8732189 0.81 NPC1 (0.45) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL8735878 0.80 MAPT (0.45) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL27348555 0.79 PIK3CD (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22

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