SCHEMBL12177125

SCHEMBL12177125

CN1C(=O)/C(=C/c2cc(C3=CC=CCC3)cs2)S/C1=N/c1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PSMB8 P28062 1/20 0.49
▸ ITGB3 P05106 2/20 0.48
▸ ITGAV P06756 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ AURKA O14965 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ INCENP Q9NQS7 2/20 0.44
▸ CSF1R P07333 1/20 0.41

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
SCHEMBL12177518 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12177123 0.80 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12177542 0.80 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12177442 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12177449 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12177415 0.73 MGAM (0.52) ALDH1A1POLBMAPTTDP1LMNA
SCHEMBL14883357 0.72 ALDH1A1 (0.69) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12177138 0.71 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12177159 0.71 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12177126 0.70 MGAM (0.54) ALDH1A1MEN1KMT2APOLBMAPT

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