SCHEMBL10795140

SCHEMBL10795140

N#CCCN(CCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MLYCD O95822 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 8/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP2 O95551 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ LIMK2 P53671 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL7644045 0.87 HSP90AA1 (0.40) POLBALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL2323987 0.83 USP2 (0.53) HSD17B10USP2MLYCDPOLBALDH1A1
SCHEMBL7641411 0.81 USP2 (0.45) HSD17B10USP2MLYCDPOLBALDH1A1
SCHEMBL10794576 0.80 ALDH1A1 (0.39) ALDH1A1HTTRAB9ASMN1; SMN2MEN1
Water SCHEMBL28635299 0.78 USP2 (0.50) HSD17B10USP2MLYCDPOLBALDH1A1
SCHEMBL202397 0.78 USP2 (0.50) HSD17B10USP2MLYCDPOLBALDH1A1
SCHEMBL10797259 0.78 RORC (0.43) ALDH1A1RAB9AMEN1KMT2ALMNA
SCHEMBL10794428 0.78 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL11800243 0.78 USP2 (0.57) HSD17B10USP2MLYCDPOLBALDH1A1
SCHEMBL11042111 0.77 CA12 (0.48) HSD17B10USP2POLBSMN1; SMN2TDP2

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-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 — — US disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 — — US disclosed
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