SCHEMBL8065895

SCHEMBL8065895

O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 5/20 0.62
HTT P42858 2/20 0.62
MAPT P10636 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
TRPM2 O94759 1/20 0.60
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL8065896 1.00 TRPV1 (0.67) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8065999 0.91 TRPV1 (0.67) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8065998 0.91 TRPV1 (0.67) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8048848 0.88 KCNK2 (0.61) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8048849 0.88 KCNK2 (0.61) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL3273795 0.87 TRPV1 (0.70) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL3273786 0.87 TRPV1 (0.70) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL6791019 0.86 ALDH1A1 (0.80) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL6791025 0.86 ALDH1A1 (0.80) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8059612 0.86 MEN1 (0.65) MEN1KMT2ARAB9AALDH1A1HTT

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