SCHEMBL28609450

SCHEMBL28609450

Oc1c(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc(-c3cccnc3)cc2)cc1-c1nc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MET P08581 1/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.48
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL30835009 1.00 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1KMT2AKDM4E
Lithium SCHEMBL30835026 0.99 ALDH1A1 (0.60) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL12232118 0.85 ALDH1A1 (0.64) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL12232117 0.85 ALDH1A1 (0.68) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL12232090 0.85 ALDH1A1 (0.68) ALDH1A1HSD17B10MEN1KMT2AKDM4E
Lithium Ion SCHEMBL30834971 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL12232089 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL12232119 0.83 ALDH1A1 (0.64) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL19831122 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL19084942 0.82 ALDH1A1 (0.85) ALDH1A1HSD17B10MEN1KMT2AKDM4E

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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