SCHEMBL26731069

SCHEMBL26731069

c1ccc(-c2cccc3[nH]c4ccccc4c23)c(-c2cccc3[nH]c4ccccc4c23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.61
IMPDH1 P20839 1/20 0.61
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
GPR3 P46089 1/20 0.56
GABRP O00591 4/20 0.53
GABRD O14764 4/20 0.53
GABRA1 P14867 4/20 0.53
GABRB1 P18505 4/20 0.53
GABRG2 P18507 4/20 0.53
GABRB3 P28472 4/20 0.53
GABRA5 P31644 4/20 0.53
GABRA3 P34903 4/20 0.53
GABRA2 P47869 4/20 0.53
GABRB2 P47870 4/20 0.53
GABRA4 P48169 4/20 0.53
GABRE P78334 4/20 0.53
GABRA6 Q16445 4/20 0.53
GABRG1 Q8N1C3 4/20 0.53
GABRG3 Q99928 4/20 0.53

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
SCHEMBL1326375 1.00 IMPDH2 (0.61) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL866840 1.00 IMPDH2 (0.61) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL5933739 0.98 IMPDH2 (0.63) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL21407081 0.90 IMPDH2 (0.52) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL20261907 0.90 IMPDH2 (0.55) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL223943 0.87 IMPDH2 (0.49) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL24723178 0.86 IMPDH2 (0.52) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL18851614 0.86 IMPDH2 (0.52) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL20934479 0.86 KIF11 (0.56) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL19658965 0.86 GABRP (0.65) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3

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-2023208899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-02 WO disclosed