SCHEMBL28831255

SCHEMBL28831255

N#Cc1c(C#N)c2c(C#N)c(N)cc3c4cccc5cccc(c(c1C#N)c23)c54

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ ERBB2 P04626 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ HPRT1 P00492 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL28831259 0.78 CA1 (0.33) PIM1MCL1ALDH1A1HPGDHSD17B10
SCHEMBL29820672 0.76 CA1 (0.39) MCL1ALDH1A1HPGDHSD17B10CYP1A2
Hydrazine SCHEMBL28831253 0.76 CA1 (0.36) MCL1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL21791069 0.72 ALDH1A1 (0.42) PIM1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29501045 0.71 CYP1A2 (0.42) MCL1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2584711 0.71 CYP1A2 (0.42) MCL1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL21791166 0.68 ALDH1A1 (0.46) PIM1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL5748495 0.68 CYP1A2 (0.46) PIM1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL5745450 0.68 ALDH1A1 (0.44) PIM1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL20736055 0.68 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP1A2THRB

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-114956593-A Super-hydrophilic self-cleaning antifogging glass and preparation method thereof 杨梅梅 2022-08-30 — — CN claimed
CN-114956593-A Super-hydrophilic self-cleaning antifogging glass and preparation method thereof 杨梅梅 2022-08-30 — — CN disclosed
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