SCHEMBL4753105

SCHEMBL4753105

c1csc(-c2ccc(-c3ccc4[nH]c5ccccc5c4c3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRA6 Q16445 2/20 0.44
TDO2 P48775 1/20 0.44
MMP2 P08253 4/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP13 P45452 3/20 0.44
AHR P35869 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
KIF11 P52732 3/20 0.42
GABRA4 P48169 1/20 0.42
HTR1D P28221 3/20 0.41
HTR1B P28222 3/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL607342 0.90 MMP2 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19712147 0.88 AHR (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24968032 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29009541 0.83 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30382728 0.83 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29309168 0.77 NPC1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23954238 0.75 KDM4E (0.49) ALDH1A1HSD17B10DPP4KDM4EMEN1
SCHEMBL7247421 0.74 KIF11 (0.42) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL670060 0.74 AHR (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16127349 0.74 AHR (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3

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-2008146975-A1 NOVEL ORGANIC DYE CONTAINING N-ARYLCARBAZOLE MOIETY AND PREPARATION THEREOF DONGJIN SEMICHEM CO., LTD (KR) 2008-12-04 WO disclosed