SCHEMBL28025879

SCHEMBL28025879

C1=Cc2nc1cc1cc(-c3ccccc3)c([nH]1)c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ TERT O14746 2/20 0.36
▸ TGFBR1 P36897 1/20 0.34
▸ TOP1 P11387 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYCS P99999 3/20 0.33
▸ NPY5R Q15761 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
SCHEMBL28024655 0.86 STAT3 (0.62) STAT3STAT1TERTTOP1CYCS
SCHEMBL29904993 0.86 STAT3 (0.62) STAT3STAT1TERTTOP1CYCS
SCHEMBL27838897 0.85 STAT3 (0.61) STAT3STAT1TERTTOP1CYCS
SCHEMBL27883624 0.85 STAT3 (0.61) STAT3STAT1TERTTOP1CYCS
SCHEMBL28188073 0.81 STAT3 (0.72) STAT3STAT1TERTTOP1CYCS
SCHEMBL31276120 0.80 STAT3 (0.55) STAT3STAT1TERTTOP1CYCS
SCHEMBL28311233 0.80 STAT3 (0.55) STAT3STAT1TERTTOP1CYCS
SCHEMBL27931179 0.80 STAT3 (0.55) STAT3STAT1TERTTOP1CYCS
SCHEMBL28008850 0.80 STAT3 (0.67) STAT3STAT1TERTTOP1CYCS
SCHEMBL9582368 0.79 STAT3 (0.57) STAT3STAT1KDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104801344-A Catalyst for catalyzing oxidation of cyclohexane and preparation method of catalyst UNIV ZHENGZHOU LIGHT IND 2015-07-29 — — CN disclosed
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