SCHEMBL28602502

SCHEMBL28602502

c1ccc(COc2ccccc2-c2ccnc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.48
▸ MAOB P27338 3/20 0.48
▸ MAOA P21397 1/20 0.47
▸ PTGER4 P35408 4/20 0.46
▸ PTGER3 P43115 4/20 0.46
▸ PTGER2 P43116 4/20 0.46
▸ GRM5 P41594 1/20 0.44
▸ SGMS2 Q8NHU3 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ SQOR Q9Y6N5 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ XDH P47989 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
SCHEMBL30835097 1.00 PTGER1 (0.48) PTGER1MAOBMAOAPTGER4PTGER3
SCHEMBL30835112 0.89 PTGER1 (0.51) PTGER1MAOBMAOAPTGER4PTGER3
SCHEMBL28609452 0.89 PTGER1 (0.51) PTGER1MAOBMAOAPTGER4PTGER3
SCHEMBL28600748 0.85 PTGER1 (0.52) PTGER1MAOBMAOAPTGER4PTGER3
SCHEMBL30835033 0.85 PTGER1 (0.52) PTGER1MAOBMAOAPTGER4PTGER3
SCHEMBL19831014 0.85 MAOB (0.54) PTGER1MAOBMAOAPTGER4PTGER3
SCHEMBL19830917 0.81 MAOB (0.47) PTGER1MAOBMAOAPTGER4PTGER3
SCHEMBL30835080 0.81 MAOB (0.47) PTGER1MAOBMAOAPTGER4PTGER3
SCHEMBL30835100 0.80 CYP11B1 (0.50) PTGER1PTGER4PTGER3PTGER2GRM5
SCHEMBL30835078 0.78 MEN1 (0.54) BRD4

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 3 patents. 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
CN-109689665-B Metal complex and electron transport material using the same 大电株式会社 2021-10-01 — — CN disclosed
CN-112961102-A Metal complex and electron transport material using the same 大电株式会社 2021-06-15 — — CN disclosed
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