SCHEMBL9865405

SCHEMBL9865405

FC(F)(F)C(=NOCc1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
LMNA P02545 2/20 0.45
NR4A2 P43354 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CES2 O00748 1/20 0.43
KMT2A Q03164 1/20 0.43
DDR1 Q08345 1/20 0.42
VNN1 O95497 1/20 0.42
MAOB P27338 1/20 0.41
TBXA2R P21731 2/20 0.41
SRD5A2 P31213 1/20 0.40
KAT6A Q92794 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
SCHEMBL11027064 0.77 CES2 (0.49) LMNACES2KMT2AMAOBTBXA2R
SCHEMBL9864560 0.77 CES2 (0.42) LMNACES2KMT2ATBXA2R
SCHEMBL10671693 0.75 NPSR1 (0.48) LMNACES2KMT2A
SCHEMBL15670297 0.75 PPARG (0.42) LMNANR4A2MRGPRX4PPARGPPARA
SCHEMBL6810999 0.75 PPARG (0.53) LMNAPPARGPPARA
SCHEMBL6810996 0.75 PPARG (0.53) LMNAPPARGPPARA
SCHEMBL20830725 0.74 LMNA (0.66) LMNANR4A2MRGPRX4CES2KMT2A
SCHEMBL10668346 0.74 F2 (0.51) LMNACES2KMT2A
SCHEMBL9799542 0.73 CES2 (0.56) LMNACES2KMT2AMAOBSRD5A2
SCHEMBL9799873 0.73 CES2 (0.56) LMNACES2KMT2AMAOBSRD5A2

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-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US claimed