SCHEMBL5038338

SCHEMBL5038338

c1ccc2c(c1)-c1ccccc1C2(c1ccccc1-c1cccc2[nH]c3ccccc3c12)c1ccccc1-c1cccc2[nH]c3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
PARP1 P09874 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GPR3 P46089 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRP O00591 4/20 0.44
GABRD O14764 4/20 0.44
GABRA1 P14867 4/20 0.44
GABRB1 P18505 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
GABRA4 P48169 4/20 0.44
GABRE P78334 4/20 0.44
GABRA6 Q16445 4/20 0.44
GABRG1 Q8N1C3 4/20 0.44

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
Carbazole SCHEMBL1810585 0.87 ALDH1A1 (0.61) PARP1ALDH1A1GPR3HSD17B10GABRP
SCHEMBL5933739 0.87 IMPDH2 (0.63) IMPDH2IMPDH1PARP1ALDH1A1GPR3
SCHEMBL5040493 0.85 GABRP (0.42) IMPDH2IMPDH1PARP1ALDH1A1GPR3
SCHEMBL22141444 0.85 PARP1 (0.49) IMPDH2IMPDH1PARP1ALDH1A1GPR3
SCHEMBL866840 0.85 IMPDH2 (0.61) IMPDH2IMPDH1PARP1ALDH1A1GPR3
SCHEMBL1326375 0.85 IMPDH2 (0.61) IMPDH2IMPDH1PARP1ALDH1A1GPR3
SCHEMBL17807934 0.83 PARP1 (0.51) IMPDH2IMPDH1PARP1ALDH1A1GPR3
SCHEMBL29819506 0.83 PARP1 (0.51) IMPDH2IMPDH1PARP1ALDH1A1GPR3
SCHEMBL20199521 0.82 PARP1 (0.50) IMPDH2IMPDH1PARP1ALDH1A1GPR3
SCHEMBL19980374 0.82 KDM4E (0.41) IMPDH2IMPDH1PARP1ALDH1A1GPR3

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-20080036365-A1 Carbazole Derivative Containing Fluorene Group and Organic Electroluminescent Element HODOGAYA CHEMICAL CO., LTD. (JP) 2008-02-14 US disclosed