SCHEMBL899307

SCHEMBL899307

COc1ccc(-c2cn(Cc3ccccc3)c(=Nc3ccccc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 2/20 0.41
EGFR P00533 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TP53 P04637 3/20 0.40
RGS4 P49798 1/20 0.40
RGS8 P57771 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL899306 1.00 MAPT (0.46) MAPTSMN1; SMN2HTTLMNAMAPK1
SCHEMBL899437 0.87 PDE4D (0.39) MAPTSMN1; SMN2HTTLMNAMAPK1
SCHEMBL899436 0.87 PDE4D (0.39) MAPTSMN1; SMN2HTTLMNAMAPK1
SCHEMBL899584 0.84 SMN1; SMN2 (0.42) MAPTSMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL899582 0.84 SMN1; SMN2 (0.42) MAPTSMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL10045111 0.81 PDE7A (0.36) MAPTSMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL899218 0.76 PDE4D (0.38) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL903016 0.74 ALDH1A1 (0.40) MAPTSMN1; SMN2HTTLMNAMAPK1
SCHEMBL28179465 0.69 CYP11B1 (0.56) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL5445050 0.67 HRH3 (0.55) MAPTLMNAMAPK1ALDH1A1SIGMAR1

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-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO claimed
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed