SCHEMBL8059583

SCHEMBL8059583

O=C(/C=C/c1ccccc1Cl)Nc1cccc(C(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
RAB9A P51151 7/20 0.74
NPC1 O15118 6/20 0.74
MAOB P27338 2/20 0.74
KMT2A Q03164 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MEN1 O00255 4/20 0.72
PKM P14618 1/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
TP53 P04637 3/20 0.64
LTB4R Q15722 1/20 0.63
THRB P10828 1/20 0.63
MAOA P21397 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL8059586 1.00 MAPT (0.74) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL6756826 0.88 MAPT (0.71) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL8058647 0.87 MAPT (0.62) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL8058649 0.87 MAPT (0.62) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL6754395 0.86 MAPT (0.67) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL6754390 0.86 MAPT (0.67) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL6754393 0.86 MAPT (0.67) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL6755690 0.86 MAPT (0.69) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL4280503 0.86 RAB9A (1.00) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL4280508 0.86 RAB9A (1.00) MAPTRAB9ANPC1MAOBKMT2A

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 2 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
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