SCHEMBL27993444

SCHEMBL27993444

Cc1ccccc1-c1ccc2c(c1)NCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.51
▸ GRIA1 P42261 1/20 0.49
▸ CACNG8 Q8WXS5 1/20 0.49
▸ HTR1A P08908 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ ADORA1 P30542 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ PARP10 Q53GL7 4/20 0.39
▸ PARP11 Q9NR21 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL31504068 0.87 GRIA1 (0.56) CD274GRIA1CACNG8HTR1AHTR7
SCHEMBL28119371 0.81 PARP1 (0.43) TRPA1ADORA1PDK2NISCHPARP10
SCHEMBL10922053 0.80 CHEK1 (0.50) CD274HTR7ADORA1PDK2USP2
SCHEMBL4718616 0.78 KDM4E (0.63) NISCHPARP10PARP11KDM4EMEN1
SCHEMBL8154134 0.77 PARP11 (0.68) CD274GRIA1CACNG8PARP10PARP11
SCHEMBL7743680 0.76 CD274 (0.72) CD274GRIA1CACNG8
SCHEMBL23785442 0.76 PARP10 (0.44) PARP10PARP11KDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL7746004 0.75 CD274 (0.71) CD274GRIA1CACNG8
SCHEMBL10920456 0.75 ALDH1A1 (0.50) ADORA1PARP10PARP11KDM4EMEN1
SCHEMBL17785717 0.74 JAK2 (0.41) CD274PARP10PARP11SMN1; SMN2PARP1

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-104204136-B Indolo [2,1-a ] quinazoline derivatives for stabilizing organic materials 巴斯夫欧洲公司 2016-12-28 — — CN disclosed
CN-104204136-A Indolo [2,1-a ] quinazoline derivatives for stabilizing organic materials BASF SE 2014-12-10 — — CN disclosed
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