SCHEMBL8065922

SCHEMBL8065922

O=C(C=Cc1ccccc1Br)Nc1cccc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.63
MAPT P10636 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 1/20 0.59
MAOB P27338 5/20 0.54
MAOA P21397 2/20 0.54
EGFR P00533 2/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MMP1 P03956 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL8065920 1.00 LTB4R (0.63) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8059586 0.84 MAPT (0.74) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8061692 0.84 LTB4R (0.63) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8047990 0.84 LTB4R (0.63) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8061691 0.84 LTB4R (0.63) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8059583 0.84 MAPT (0.74) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8047996 0.84 LTB4R (0.63) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8049008 0.82 MAPT (0.86) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8049006 0.82 MAPT (0.86) LTB4RMAPTMEN1KMT2ALMNA
SCHEMBL8049033 0.82 LTB4R (0.84) LTB4RMAPTMEN1KMT2ALMNA

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