SCHEMBL28286344

SCHEMBL28286344

c1ccc(COc2ccc(-c3ccc(-c4cccnc4)cc3)cc2-c2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.54
▸ CYP11B2 P19099 8/20 0.54
▸ CYP19A1 P11511 4/20 0.54
▸ CYP2A6 P11509 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.47
▸ IKBKB O14920 2/20 0.47
▸ SMPD1 P17405 2/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ PTGER1 P34995 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 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
SCHEMBL30835094 1.00 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP2A6LRRK2
SCHEMBL19830908 0.86 GRM5 (0.44) CYP11B1CYP11B2CYP19A1IKBKBGRM5
SCHEMBL30835057 0.85 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP2A6IKBKB
SCHEMBL28598288 0.85 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP2A6IKBKB
SCHEMBL30835107 0.83 GRM5 (0.47) GRM5PTGER1CYP3A4CYP2C9ALDH1A1
SCHEMBL30835058 0.83 GRM5 (0.45) CYP11B1CYP11B2CYP19A1LRRK2GRM5
SCHEMBL28609714 0.83 GRM5 (0.45) CYP11B1CYP11B2CYP19A1LRRK2GRM5
SCHEMBL28600767 0.80 GRM5 (0.47) GRM5PTGER1CYP3A4CYP2C9ALDH1A1
SCHEMBL30835106 0.80 GRM5 (0.47) GRM5PTGER1CYP3A4CYP2C9ALDH1A1
SCHEMBL19830901 0.79 NPC1 (0.41) CYP11B1CYP11B2CYP19A1PRMT5GRM5

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 4 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
CN-109689665-A Metal complex and electron transport material using the same 大电株式会社 2019-04-26 — — CN disclosed
Send feedback