SCHEMBL11817362

SCHEMBL11817362

O=S1(=O)CCC(NCc2cccc(CNC3CCS(=O)(=O)C3)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ GLA P06280 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39

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
SCHEMBL14256459 0.89 GRIN2B (0.51) JAK1ALDH1A1L3MBTL1KMT2AGLA
Ammonia Solution, Strong SCHEMBL16269263 0.87 GRIN2B (0.50) JAK1ALDH1A1L3MBTL1KMT2AGLA
SCHEMBL1701911 0.78 GRIN2B (0.59) KMT2ARAB9AGRIN2B
SCHEMBL25007080 0.76 JAK1 (0.47) JAK1ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL16366457 0.76 JAK1 (0.47) JAK1ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL9252404 0.72 ALDH1A1 (0.68) ALDH1A1POLBGLAKDM4ECXCR4
SCHEMBL11509945 0.72 ALDH1A1 (0.68) ALDH1A1POLBGLAKDM4ECXCR4
SCHEMBL25188602 0.71 HSD17B10 (0.52) KMT2ARAB9AGRIN2B
SCHEMBL25007083 0.71 JAK1 (0.41) JAK1ALDH1A1L3MBTL1GLASMN1; SMN2
SCHEMBL11200026 0.70 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2LMNA

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-3946038-A CHAIN EXTENDERS FOR POLYURETHANES UNIROYAL, INC. (US) 1976-03-23 — — US claimed
US-3946038-A CHAIN EXTENDERS FOR POLYURETHANES UNIROYAL, INC. (US) 1976-03-23 — — US disclosed
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