SCHEMBL8178332

SCHEMBL8178332

O=c1[nH]nc(S)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.50
GSK3B P49841 3/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.41
NTRK1 P04629 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8186274 0.81 ALDH1A1 (0.44) GSK3AGSK3BL3MBTL1ALDH1A1TDP1
SCHEMBL8177809 0.80 CYP1A2 (0.46) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL8186401 0.79 TDP1 (0.40) NPC1RAB9AL3MBTL1CYP1A2TDP1
SCHEMBL8178131 0.78 L3MBTL1 (0.42) NPC1RAB9AL3MBTL1ALDH1A1HSD17B10
SCHEMBL8177459 0.77 CYP1A2 (0.74) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3520528 0.77 L3MBTL1 (0.66) GSK3AGSK3BGAANPC1RAB9A
SCHEMBL3167625 0.76 MAPK9 (0.56) GSK3AGSK3BGAANPC1RAB9A
SCHEMBL8185171 0.74 L3MBTL1 (0.72) NPC1RAB9AL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL8185793 0.74 CYP1A2 (0.54) NPC1RAB9AL3MBTL1ALDH1A1CYP1A2
SCHEMBL8177807 0.74 NOTUM (0.41) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2TDP1

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-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO disclosed