SCHEMBL9475596

SCHEMBL9475596

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2Cl)N(C(=O)O)C(=S)N1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 13/20 0.68
CACNA1F O60840 12/20 0.68
CACNA1D Q01668 12/20 0.68
CACNA1S Q13698 12/20 0.68
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CACNA1B Q00975 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCC4 O15439 1/20 0.41
PLIN1 O60240 1/20 0.41
GMNN O75496 1/20 0.41
KCNK2 O95069 1/20 0.41
ABCB11 O95342 1/20 0.41
GSR P00390 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL9475008 0.91 CACNA1F (0.66) CACNA1CCACNA1FCACNA1DCACNA1SKMT2A
SCHEMBL9477065 0.89 CACNA1F (0.67) CACNA1CCACNA1FCACNA1DCACNA1SKMT2A
SCHEMBL9475098 0.89 CACNA1C (0.57) CACNA1CCACNA1FCACNA1DCACNA1SKMT2A
SCHEMBL9475571 0.85 CACNA1F (0.65) CACNA1CCACNA1FCACNA1DCACNA1SKMT2A
SCHEMBL10914501 0.81 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL9474962 0.81 CACNA1F (0.63) CACNA1CCACNA1FCACNA1DCACNA1SSMN1; SMN2
SCHEMBL9475708 0.81 CACNA1C (0.56) CACNA1CCACNA1FCACNA1DCACNA1SKMT2A
SCHEMBL9157120 0.80 CACNA1C (0.56) CACNA1CCACNA1FCACNA1DCACNA1SKMT2A
SCHEMBL9475454 0.79 CACNA1D (0.53) CACNA1CCACNA1FCACNA1DCACNA1SKMT2A
SCHEMBL9475842 0.78 CACNA1F (0.47) CACNA1CCACNA1FCACNA1DCACNA1SKMT2A

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-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed