SCHEMBL7598222

SCHEMBL7598222

CC[C@H](C)NC(=O)c1[c]cccc1[AsH2]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
NAMPT P43490 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
STAT1 P42224 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7179217 1.00 MEN1 (0.48) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL6866131 0.82 MEN1 (0.48) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL6859753 0.82 MEN1 (0.48) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL11823698 0.69 MEN1 (0.83) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL8507346 0.67 RAB9A (0.87) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL799431 0.67 RAB9A (0.87) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL8526512 0.67 RAB9A (0.87) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL19994665 0.66 MLYCD (0.39) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7088459 0.66 ALOX5 (0.41) KMT2AALDH1A1SMN1; SMN2L3MBTL1HSD17B10
SCHEMBL4814784 0.66 MAPK1 (0.58) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2

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-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed