SCHEMBL7745253

SCHEMBL7745253

CCS(=O)(=O)N(C(=O)c1ccc(OC)cc1)c1c[c]c(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
F2 P00734 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL7744846 0.91 TP53 (0.39) TP53LMNANPC1RAB9ATAS2R14
SCHEMBL7740041 0.87 CNR2 (0.32) ALDH1A1
SCHEMBL7747629 0.84 TP53 (0.41) TP53LMNARAB9AKMT2AALDH1A1
SCHEMBL7755890 0.81 TP53 (0.36) TP53LMNAKMT2AALDH1A1MAPT
SCHEMBL7740250 0.80
SCHEMBL7740205 0.79
SCHEMBL7744842 0.77 NR3C2 (0.34) LMNAKMT2AALDH1A1MAPT
SCHEMBL7744890 0.77
SCHEMBL7747631 0.77
SCHEMBL7745401 0.74 TP53 (0.43) TP53LMNARAB9AKMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed