SCHEMBL9476282

SCHEMBL9476282

COc1ccc(CSC2=NC(C)=C(C(=O)O)C(c3ccccc3[N+](=O)[O-])N2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 8/20 0.40
MAPT P10636 4/20 0.40
DCTPP1 Q9H773 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9477103 0.92 DCTPP1 (0.42) SMN1; SMN2HPGDMAPK1GAAALDH1A1
SCHEMBL9477351 0.92 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL9475146 0.87 PTGDR2 (0.42) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL9476368 0.86 TP53 (0.40) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL9475728 0.86 ABL1 (0.41) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL9476315 0.85 MAPT (0.41) SMN1; SMN2HPGDGAAALDH1A1MAPT
SCHEMBL9475602 0.84 MAPT (0.49) SMN1; SMN2HPGDMAPK1GAAALDH1A1
SCHEMBL9476024 0.83 ALDH1A1 (0.41) HPGDGAAALDH1A1CACNA1FCACNA1D
SCHEMBL7272032 0.82 ALDH1A1 (0.48) SMN1; SMN2HPGDMAPK1GAAALDH1A1
SCHEMBL9476099 0.82 POLB (0.40) SMN1; SMN2GAAMAPTNPC1RAB9A

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 1 patent. 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