SCHEMBL28980611

SCHEMBL28980611

O=Pc1nnncc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ NOTUM Q6P988 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDO2 P48775 3/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ SMARCA4 P51532 1/20 0.32
▸ PBRM1 Q86U86 1/20 0.32

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
SCHEMBL28980654 0.75 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL56386 0.72 LMNA (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL28560226 0.71 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6246228 0.71 SMARCA2 (0.52) AKT2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL28450082 0.71 MAPK1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28980572 0.71 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20466855 0.71 AKT1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31425114 0.71 BACE1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3820487 0.71 BACE1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29632655 0.71 CYP2A6 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115926036-A Non-conjugated polymer thermal excitation delayed fluorescence material, preparation method and application thereof 黑龙江大学 2023-04-07 — — CN claimed
CN-115926036-A Non-conjugated polymer thermal excitation delayed fluorescence material, preparation method and application thereof 黑龙江大学 2023-04-07 — — CN disclosed
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