SCHEMBL8733608

SCHEMBL8733608

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C)c3c2C(F)(F)F)CCN1c1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
HPGD P15428 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 4/20 0.42
ALB P02768 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL8736371 0.91 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8046835 0.82 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8046793 0.78 HPGD (0.52) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8733517 0.77 RAB9A (0.43) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8059195 0.77 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8064203 0.76 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8057434 0.75 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8046660 0.75 KDM4E (0.46) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8046770 0.74 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10ALB
SCHEMBL8058583 0.73 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10ALB

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
CN-1214632-A Remedies or preventives for AIDS SANKYO CO (JP) 1999-04-21 CN disclosed
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed