SCHEMBL28639508

SCHEMBL28639508

Cc1cccc(N2CNCN2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
ALOX5 P09917 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
HSP90AA1 P07900 1/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACHE P22303 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL22627146 0.79 ALOX5 (0.46) ALOX5L3MBTL1MGLLHSD17B10ALDH1A1
SCHEMBL28644643 0.77 ADRB1 (0.44) ADRB1ALOX5L3MBTL1MGLLMAPT
SCHEMBL13724258 0.71 ALOX5 (0.49) ADRB1ALOX5L3MBTL1HSP90AA1MGLL
SCHEMBL15507872 0.69 ADRB1 (0.61) ADRB1ALOX5L3MBTL1HSP90AA1MGLL
SCHEMBL5540575 0.68 ADRB1 (0.80) ADRB1ALOX5ALDH1A1KCNH2NOTUM
SCHEMBL29391951 0.67 ADRB1 (1.00) ADRB1MAPTALDH1A1KCNH2
SCHEMBL81365 0.67 ADRB1 (1.00) ADRB1MAPTALDH1A1KCNH2
SCHEMBL9022967 0.67 L3MBTL1 (0.50) ADRB1ALOX5L3MBTL1HSP90AA1MGLL
SCHEMBL9715330 0.66 ADRB1 (0.62) ADRB1ALOX5L3MBTL1HSP90AA1MGLL
SCHEMBL10373770 0.66 ADRB1 (0.74) ADRB1L3MBTL1MAPTALDH1A1KCNH2

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-113480485-B 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof 甘肃农业大学 2023-04-07 CN disclosed
CN-113480485-A 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof 甘肃农业大学 2021-10-08 CN disclosed