SCHEMBL4269117

SCHEMBL4269117

N#Cc1ccccc1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ TRPA1 O75762 1/20 0.40
▸ PTGES O14684 2/20 0.34
▸ CHEK1 O14757 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ DHODH Q02127 1/20 0.30

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
SCHEMBL7268040 0.89 STAT3 (0.54) STAT3STAT1
SCHEMBL2849607 0.85 STAT3 (0.58) STAT3STAT1
SCHEMBL6892151 0.82 STAT3 (0.58) STAT3STAT1
SCHEMBL27579991 0.82 STAT3 (0.58) STAT3STAT1TRPA1
SCHEMBL7269032 0.82 STAT3 (0.58) STAT3STAT1
SCHEMBL10482856 0.82 STAT3 (0.58) STAT3STAT1TRPA1DHODH
SCHEMBL9764318 0.82 STAT3 (0.58) STAT3STAT1TRPA1PTGES
SCHEMBL27827021 0.82 TRPA1 (0.40) STAT3STAT1TRPA1PTGESCHEK1
SCHEMBL11328879 0.81 STAT3 (0.56) STAT3STAT1
SCHEMBL2534707 0.81 TRPA1 (0.46) TRPA1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107163056-A Zinc complex of porphyrin for electro-catalysis oxygen evolution reaction and preparation method thereof 中国石油大学(华东) 2017-09-15 — — CN claimed
US-20090286065-A1 METHOD FOR GENERATING SUPRAMOLECULAR ROTARY DEVICES AND SUPRAMOLECULAR ROTARY SWITCH PAUL SCHERRER INSTITUT (CH) 2009-11-19 — — US disclosed
WO-2008006520-A2 METHOD FOR GENERATING SUPRAMOLECULAR ROTARY DEVICES AND SUPRAMOLECULAR ROTARY SWITCH PAUL SCHERRER INSTITUT (CH) 2008-01-17 — — WO disclosed
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