SCHEMBL31478071

SCHEMBL31478071

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 6/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ HTR5A P47898 2/20 0.42
▸ KIF11 P52732 2/20 0.41
▸ NQO2 P16083 2/20 0.41
▸ GABRP O00591 3/20 0.40
▸ GABRD O14764 3/20 0.40
▸ GABRA1 P14867 3/20 0.40
▸ GABRB1 P18505 3/20 0.40
▸ GABRG2 P18507 3/20 0.40
▸ GABRB3 P28472 3/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA3 P34903 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 0.40
▸ GABRA4 P48169 3/20 0.40
▸ GABRE P78334 3/20 0.40
▸ GABRA6 Q16445 3/20 0.40
▸ GABRG1 Q8N1C3 3/20 0.40
▸ GABRG3 Q99928 3/20 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
SCHEMBL17050884 1.00 TDO2 (0.42) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL21217325 0.99 TDO2 (0.41) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL20779908 0.97 TDO2 (0.42) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL18653956 0.91 TDO2 (0.37) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL19474421 0.90 TDO2 (0.40) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL19245324 0.90 TDO2 (0.40) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL25060237 0.89 TDO2 (0.36) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL21202756 0.89 TDO2 (0.36) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL26060228 0.88 NQO2 (0.40) TDO2HTR2BHTR5AKIF11NQO2
SCHEMBL15490790 0.88 TDO2 (0.40) TDO2HTR2BHTR5AKIF11NQO2

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-2025051734-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-03-13 — — WO disclosed
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