SCHEMBL8060458

SCHEMBL8060458

O=C(/C=C/c1ccccc1C(F)(F)F)Nc1cccc(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.76
MAOA P21397 1/20 0.64
LTB4R Q15722 1/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
NFKB1 P19838 2/20 0.52
PKM P14618 2/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
P4HB P07237 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL8060460 1.00 MAOB (0.76) MAOBMAOALTB4RMEN1KMT2A
SCHEMBL6757001 0.87 MAOB (0.71) MAOBMAOALTB4RMEN1KMT2A
SCHEMBL6756977 0.84 MAOB (0.76) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6756974 0.84 MAOB (0.76) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6756975 0.84 MAOB (0.76) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL8061691 0.84 LTB4R (0.63) MAOBLTB4RMEN1KMT2AMAPT
SCHEMBL8061692 0.84 LTB4R (0.63) MAOBLTB4RMEN1KMT2AMAPT
SCHEMBL8065920 0.81 LTB4R (0.63) MAOBMAOALTB4RMEN1KMT2A
SCHEMBL8047990 0.81 LTB4R (0.63) MAOBMAOALTB4RMEN1KMT2A
SCHEMBL8059583 0.81 MAPT (0.74) MAOBMAOALTB4RMEN1KMT2A

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