SCHEMBL11199902

SCHEMBL11199902

C[C@H](CSSC[C@@H](C)C(=O)N1C(c2cccc([N+](=O)[O-])c2)SC[C@H]1C(=O)O)C(=O)N1C(c2cccc([N+](=O)[O-])c2)SC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PDE5A O76074 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ FFAR2 O15552 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11213997 0.86 KMT2A (0.33) SMN1; SMN2POLBKMT2APDE5ALMNA
SCHEMBL11259834 0.83 PDE5A (0.33) SMN1; SMN2POLBKMT2APDE5ALMNA
SCHEMBL11186430 0.80 ALDH1A1 (0.44) POLBALDH1A1FFAR2HSD17B10
SCHEMBL11184570 0.79 POLB (0.47) POLBKMT2AALDH1A1FFAR2HSD17B10
SCHEMBL11222613 0.79 POLB (0.42) SMN1; SMN2POLBKMT2APDE5ALMNA
SCHEMBL10944369 0.79 SMN1; SMN2 (0.45) SMN1; SMN2POLBKMT2ALMNAALDH1A1
SCHEMBL10942665 0.79 SMN1; SMN2 (0.45) SMN1; SMN2POLBKMT2ALMNAALDH1A1
SCHEMBL11199916 0.79 SMN1; SMN2 (0.44) SMN1; SMN2POLBKMT2APDE5ALMNA
SCHEMBL11190490 0.79 HTT (0.42) POLBKMT2AHTTFFAR2HSD17B10
SCHEMBL10942943 0.77 L3MBTL1 (0.43) SMN1; SMN2POLBKMT2ALMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US claimed
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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