SCHEMBL8058647

SCHEMBL8058647

O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
LMNA P02545 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
MAOB P27338 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
PKM P14618 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
LTB4R Q15722 1/20 0.57
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MMP1 P03956 3/20 0.55
MMP2 P08253 3/20 0.55

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
SCHEMBL8058649 1.00 MAPT (0.62) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL8059586 0.87 MAPT (0.74) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL8059583 0.87 MAPT (0.74) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL20214182 0.87 MAPT (0.75) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL8048920 0.83 LTB4R (0.76) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL8048917 0.83 LTB4R (0.76) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL8060586 0.82 MAOB (0.73) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL8060583 0.82 MAOB (0.73) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL4277198 0.81 MAPT (0.49) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL4277201 0.81 MAPT (0.49) MAPTLMNAMEN1KMT2ANPC1

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