SCHEMBL9477103

SCHEMBL9477103

COc1ccc(CSC2=NC(C)=C(C(=O)O)C(c3cccc([N+](=O)[O-])c3Cl)N2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 2/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL9476282 0.92 SMN1; SMN2 (0.41) DCTPP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9476156 0.89 FFAR1 (0.38) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9475728 0.86 ABL1 (0.41) ALDH1A1MAPTKMT2AGAALMNA
SCHEMBL9476236 0.85 DCTPP1 (0.44) DCTPP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9477351 0.84 ALDH1A1 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9475146 0.83 PTGDR2 (0.42) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL10911202 0.83 POLB (0.40) DCTPP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7272032 0.82 ALDH1A1 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9476368 0.82 TP53 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9475602 0.81 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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