SCHEMBL9396285

SCHEMBL9396285

Cc1ccc(-c2ccc(F)cc2)cc1.O=C1c2ccccc2C(=O)N1OCc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 3/20 0.43
VDR P11473 1/20 0.43
GRM5 P41594 1/20 0.42
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 3/20 0.41
GAA P10253 1/20 0.41
MC4R P32245 1/20 0.40
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 2/20 0.39
F2 P00734 2/20 0.39
XBP1 P17861 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
SCHEMBL9396278 0.93 ALDH1A1 (0.55) ALDH1A1HTTKMT2AMEN1ATM
SCHEMBL21045989 0.75 MEN1 (0.61) ALDH1A1HTTKMT2AMEN1ATM
SCHEMBL9671323 0.75 MEN1 (0.71) ALDH1A1HTTKMT2AMEN1ATM
SCHEMBL18070713 0.74 ALDH1A1 (0.37) ALDH1A1HTTKMT2AMEN1ATM
SCHEMBL5528619 0.74 MEN1 (0.73) ALDH1A1HTTKMT2AMEN1ATM
SCHEMBL9670392 0.73 KMT2A (0.52) ALDH1A1HTTKMT2AMEN1ATM
SCHEMBL31019692 0.73 ALDH1A1 (0.52) ALDH1A1HTTKMT2AMEN1ATM
SCHEMBL21045990 0.73 ALDH1A1 (0.57) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL13262631 0.72 FFAR4 (0.48) ALDH1A1KMT2AMEN1ATMMAPT
SCHEMBL10252337 0.72 FFAR1 (0.48) FFAR1FFAR4KCNA5KCNH2

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
WO-1994026696-A1 HERBICIDAL CYCLOHEXANES DUNLENA PTY. LIMITED (AU) 1994-11-24 WO disclosed
WO-1993010081-A1 HERBICIDAL 2(SUBSTITUTED OXIME)-CYCLOHEXAN-1,3-DIONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1993-05-27 WO disclosed