SCHEMBL31276334

SCHEMBL31276334

c1ccc(-c2ccccc2-c2ccccc2-c2c(-c3nccc(-c4ccccc4)c3-c3ccccc3)ccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 13/20 0.54
▸ HTR2B P41595 3/20 0.54
▸ HTR5A P47898 3/20 0.54
▸ BCHE P06276 2/20 0.47
▸ IDO1 P14902 3/20 0.46
▸ HTR2C P28335 1/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ PDE5A O76074 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL29985742 0.86 TDO2 (0.61) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL31276021 0.86 MAOA (0.47) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL30022292 0.86 MAOA (0.47) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL30103683 0.85 TDO2 (0.50) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL30103685 0.85 GABRP (0.47) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL30302837 0.85 GABRP (0.47) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL29177840 0.85 GABRP (0.47) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL3270151 0.84 MAOA (0.48) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL30103587 0.84 MAOA (0.48) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL31276033 0.83 GABRP (0.49) TDO2HTR2BHTR5ABCHEIDO1

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-20240407244-A1 MIXED POWDER FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD FOR PRODUCING THE SAME, METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE BY USING THE MIXED POWDER, METHOD FOR SELECTING COMPOUNDS IN THE MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION IDEMITSU KOSAN CO.,LTD. (JP) 2024-12-05 — — US disclosed
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