SCHEMBL9429844

SCHEMBL9429844

COc1ccc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ ALOX5 P09917 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ TOP1 P11387 3/20 0.33
▸ TERT O14746 1/20 0.33
▸ SMPD3 Q9NY59 1/20 0.33
▸ GUSB P08236 1/20 0.32
▸ CYCS P99999 2/20 0.32
▸ CCNB2 O95067 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
SCHEMBL2951397 0.91 STAT3 (0.54) STAT3STAT1ABCG2GAAKDM4E
SCHEMBL5576182 0.85 STAT3 (0.51) STAT3STAT1ABCG2GAAKDM4E
SCHEMBL8189718 0.84 STAT3 (0.49) STAT3STAT1ABCG2MGAMGAA
SCHEMBL8189722 0.84 STAT3 (0.49) STAT3STAT1ABCG2MGAMGAA
SCHEMBL2950389 0.83 STAT3 (0.54) STAT3STAT1ABCG2GAAKDM4E
SCHEMBL9590030 0.83 STAT3 (0.60) STAT3STAT1ABCG2KDM4EMAPT
SCHEMBL9429841 0.82 MGAM (0.39) STAT3STAT1MGAMGAASI
SCHEMBL8996959 0.82 STAT3 (0.59) STAT3STAT1ABCG2KDM4EMAPT
SCHEMBL5319095 0.81 STAT3 (0.64) STAT3STAT1ABCG2TOP1TERT
SCHEMBL30205816 0.81 STAT3 (0.64) STAT3STAT1ABCG2TOP1TERT

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
US-5284647-A Administering for magnetic resonance imaging SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-08 — — US disclosed
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