SCHEMBL27999723

SCHEMBL27999723

Brc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1.[AlH3]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ GCGR P47871 5/20 0.34
▸ MAPK14 Q16539 5/20 0.34
▸ MAPK13 O15264 4/20 0.34
▸ MAPK12 P53778 4/20 0.34
▸ MAPK11 Q15759 4/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ NR1I3 Q14994 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ APP P05067 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PTGES O14684 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
SCHEMBL5015310 0.98 STAT3 (0.38) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL28367025 0.97 STAT3 (0.37) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL27859875 0.97 STAT3 (0.37) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL31040338 0.97 STAT3 (0.37) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL28562984 0.96 STAT3 (0.42) STAT3STAT1GCGRMAPK14MAPK13
Hydrochloric Acid SCHEMBL27999705 0.96 STAT3 (0.36) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL28999747 0.87 STAT3 (0.38) STAT3STAT1
SCHEMBL28087953 0.85 MEN1 (0.39) STAT3STAT1MAPTMMP2MMP9
SCHEMBL28098906 0.85 STAT3 (0.37) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL29062199 0.84 STAT3 (0.38) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104327036-B A kind of preparation method of cyclic carbonate 中国科学院长春应用化学研究所 2017-03-29 — — CN disclosed
CN-104448283-B A kind of preparation method of Merlon 中国科学院长春应用化学研究所 2016-09-28 — — CN disclosed
CN-104448283-A Preparation method of polycarbonate CHANGCHUN APPLIED CHEMISTRY 2015-03-25 — — CN disclosed
CN-104327036-A Preparation method of cyclic carbonate CHANGCHUN APPLIED CHEMISTRY 2015-02-04 — — CN disclosed
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