SCHEMBL28188073

SCHEMBL28188073

C1=Cc2nc1cc1cc(-c3ccccc3)c([nH]1)c(-c1ccccc1)c1nc(cc3ccc([nH]3)c2-c2ccccc2)C=C1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.72
▸ STAT1 P42224 1/20 0.72
▸ TOP1 P11387 4/20 0.36
▸ CYCS P99999 3/20 0.36
▸ TERT O14746 4/20 0.35
▸ ENPP2 Q13822 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 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
SCHEMBL28008850 0.96 STAT3 (0.67) STAT3STAT1TOP1CYCSTERT
SCHEMBL27571718 0.94 STAT3 (0.65) STAT3STAT1TOP1CYCSTERT
SCHEMBL28024655 0.94 STAT3 (0.62) STAT3STAT1TOP1CYCSTERT
SCHEMBL29904993 0.94 STAT3 (0.62) STAT3STAT1TOP1CYCSTERT
SCHEMBL27940870 0.93 STAT3 (0.63) STAT3STAT1TOP1CYCSTERT
SCHEMBL29253192 0.93 STAT3 (0.63) STAT3STAT1TOP1CYCSENPP2
SCHEMBL28406752 0.93 STAT3 (0.63) STAT3STAT1TOP1CYCSENPP2
SCHEMBL27883624 0.93 STAT3 (0.61) STAT3STAT1TOP1CYCSTERT
SCHEMBL27838897 0.93 STAT3 (0.61) STAT3STAT1TOP1CYCSTERT
SCHEMBL28939046 0.92 STAT3 (0.62) STAT3STAT1TOP1CYCSTERT

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-104897733-B A kind of nitrogen dioxide gas sensor based on p-aminophenyl substitution porphyrin aggregate material 济南大学 2017-12-15 — — CN claimed
CN-104897733-B A kind of nitrogen dioxide gas sensor based on p-aminophenyl substitution porphyrin aggregate material 济南大学 2017-12-15 — — CN disclosed
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