SCHEMBL8065358

SCHEMBL8065358

O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
LMNA P02545 1/20 0.60
HSP90AA1 P07900 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TRPM2 O94759 1/20 0.60
MPO P05164 1/20 0.60
TRPA1 O75762 2/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
MAOB P27338 1/20 0.56
HTT P42858 1/20 0.56
THRB P10828 1/20 0.56
EGFR P00533 1/20 0.55
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL8065360 1.00 KDM4E (0.60) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL8063301 0.91 MEN1 (0.62) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL8063297 0.91 MEN1 (0.62) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL8059645 0.87 TRPA1 (0.70) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL8059650 0.87 TRPA1 (0.70) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL8059593 0.87 MEN1 (0.67) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL8059594 0.87 MEN1 (0.67) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL8063287 0.86 TRPM2 (0.78) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL8063286 0.86 TRPM2 (0.78) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL8064171 0.85 GAA (0.59) KDM4EMEN1KMT2ATRPM2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed