SCHEMBL4645990

SCHEMBL4645990

O=C(/C=C/SSc1ccccn1)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 2/20 0.46
MAOB P27338 3/20 0.45
MMP1 P03956 3/20 0.45
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
EGFR P00533 2/20 0.45
MAOA P21397 1/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
EHMT2 Q96KQ7 1/20 0.43
EHMT1 Q9H9B1 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ADORA3 P0DMS8 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
SCHEMBL4645399 0.90 SMN1; SMN2 (0.53) SMN1; SMN2HPGDHSD17B10MEN1KMT2A
SCHEMBL4686973 0.79 MMP1 (0.53) SMN1; SMN2MEN1KMT2AMAOBMMP1
SCHEMBL29485095 0.78 EHMT2 (0.50) SMN1; SMN2HPGDHSD17B10MEN1KMT2A
SCHEMBL29865236 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHSD17B10MEN1KMT2A
SCHEMBL4648123 0.74 NMT1 (0.50) SMN1; SMN2MEN1KMT2AMMP1MMP2
SCHEMBL28530932 0.72 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHSD17B10MEN1KMT2A
Bicarbonate SCHEMBL16975006 0.71 EHMT2 (0.77) SMN1; SMN2HPGDHSD17B10MEN1KMT2A
SCHEMBL6302448 0.71 MMP1 (0.73) SMN1; SMN2MEN1KMT2AMAOBMMP1
SCHEMBL6302452 0.71 MMP1 (0.73) SMN1; SMN2MEN1KMT2AMAOBMMP1
SCHEMBL9840923 0.71 MMP1 (0.73) SMN1; SMN2MEN1KMT2AMAOBMMP1

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
EP-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed