SCHEMBL13680640

SCHEMBL13680640

CNC(=S)c1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.48
HSD17B1 P14061 2/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAOB P27338 1/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ENPP3 O14638 1/20 0.41
HDAC2 Q92769 1/20 0.40
CSF1R P07333 1/20 0.40
FLT1 P17948 1/20 0.40
FLT3 P36888 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL28314915 0.81 SMN1; SMN2 (0.48) MAPTCTDSP1ALDH1A1GAAALOX12
SCHEMBL13680645 0.80 HSD17B2 (0.51) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL7501911 0.80 ALDH1A1 (0.50) MAPTPOLBHDAC8HDAC6ALDH1A1
SCHEMBL13680446 0.79 MAPT (0.62) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL13680641 0.79 HSD17B1 (0.50) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL6561397 0.77 ACHE (0.61) HSD17B2HSD17B1POLBENPP3FNTA
SCHEMBL13680639 0.76 HSD17B2 (0.55) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL13681333 0.75 HSD17B2 (0.50) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL18797759 0.74 ACHE (0.65) HSD17B2HSD17B1ENPP3FNTAFNTB
SCHEMBL9629049 0.74 GAA (0.46) MAPTPOLBHDAC2HDAC8HDAC6

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed