SCHEMBL28295550

SCHEMBL28295550

Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1CCO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.46
PPARG P37231 7/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
KDM4E B2RXH2 3/20 0.40
PTPN1 P18031 1/20 0.38
NOTUM Q6P988 1/20 0.38
KDM1A O60341 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4890697 0.86 PPARA (0.54) PPARAPPARGMAPTALDH1A1LMNA
SCHEMBL8888153 0.84 MAPT (0.48) PPARAPPARGMAPTALDH1A1LMNA
SCHEMBL28295573 0.84 MAPT (0.48) PPARAPPARGMAPTALDH1A1LMNA
SCHEMBL4484960 0.78 PPARA (0.58) PPARAPPARGMAPTRAB9AKDM4E
SCHEMBL3530493 0.77 RAB9A (0.53) PPARAPPARGALDH1A1RAB9AKDM4E
SCHEMBL6958969 0.76 PTGS1 (0.45) ALDH1A1
SCHEMBL3532628 0.76 KDM1A (0.57) PPARAPPARGMAPTALDH1A1LMNA
SCHEMBL1435871 0.75 ALDH1A1 (0.46) PPARAPPARGMAPTALDH1A1LMNA
SCHEMBL4906461 0.75 PPARA (0.52) PPARAPPARGRAB9AKDM4E
SCHEMBL1436051 0.75 PPARA (0.51) PPARAPPARGMAPTALDH1A1RAB9A

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
CN-109810071-A A kind of miRNA biosynthesis inhibitor 中国科学院成都生物研究所 2019-05-28 CN disclosed