SCHEMBL2586524

SCHEMBL2586524

C=CCN1C(=O)S/C(=C\c2cc(-c3cccc(C(=O)O)c3)cs2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ POLB P06746 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ APEX1 P27695 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ ACP1 P24666 2/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL12177132 0.88 ALDH1A1 (0.50) ALDH1A1ENPP2MEN1KMT2ASMN1; SMN2
SCHEMBL12177164 0.87 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL12177341 0.86 AKR1B1 (0.58) ALDH1A1ENPP2MEN1KMT2ANPC1
SCHEMBL12177496 0.81 MEN1 (0.69) ALDH1A1ENPP2POLBMEN1KMT2A
SCHEMBL12177303 0.80 ENPP2 (0.55) ENPP2PTPN1ACP1
SCHEMBL12177715 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL12177578 0.78 ALDH1A1 (0.53) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL12177361 0.77 ENPP2 (0.46) ALDH1A1ENPP2POLBMEN1KMT2A
SCHEMBL12177581 0.75 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12177447 0.75 PTPN22 (0.55) ALDH1A1ENPP2SMN1; SMN2PTPN1ACP1

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
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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