SCHEMBL30835112

SCHEMBL30835112

c1ccc(COc2ccccc2-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 10/20 0.51
▸ PTGER4 P35408 5/20 0.48
▸ PTGER3 P43115 5/20 0.48
▸ PTGER2 P43116 5/20 0.48
▸ MAOB P27338 3/20 0.48
▸ MAOA P21397 1/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ BRD4 O60885 2/20 0.44
▸ SQOR Q9Y6N5 1/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ IDO1 P14902 1/20 0.43

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
SCHEMBL28609452 1.00 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL19831014 0.94 MAOB (0.54) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL28600748 0.94 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL30835033 0.94 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL28602502 0.89 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL30835097 0.89 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL30835100 0.88 CYP11B1 (0.50) PTGER1PTGER4PTGER3PTGER2GRM5
SCHEMBL30835080 0.84 MAOB (0.47) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL19830917 0.84 MAOB (0.47) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL19831018 0.84 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MAOB

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
CN-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 — — CN disclosed
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