SCHEMBL8685276

SCHEMBL8685276

O=Cc1cccc2[nH]c(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
KIF11 P52732 4/20 0.38
POLQ O75417 6/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
EGFR P00533 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
DDR1 Q08345 1/20 0.32

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
SCHEMBL8685628 0.81 DAO (0.41) DAOKIF11LMNAPOLBMAPT
SCHEMBL7489457 0.76 AHR (0.49) DAOKIF11POLQ
SCHEMBL8685738 0.74 CYP2A6 (0.40) KIF11PIM1PIM3EGFR
SCHEMBL18586027 0.73 PARP1 (0.48) DAOKIF11PIM1PIM3KDM4E
SCHEMBL8685272 0.70 GCGR (0.42) DAOPOLQLMNA
SCHEMBL18586039 0.70 PARP1 (0.43) DAOKIF11PIM1PIM3KDM4E
SCHEMBL18586827 0.70 PARP1 (0.45) DAOKIF11KDM4E
SCHEMBL18586826 0.67 HRH3 (0.44) PIM1PIM3KDM4E
SCHEMBL8685220 0.67 AKR1B1 (0.43) KIF11MAPT
SCHEMBL2648755 0.66 KDM4E (0.41) EGFRKDM4EMAPT

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
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed