SCHEMBL2403632

SCHEMBL2403632

C=CC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.54
▸ CYCS P99999 4/20 0.53
▸ TGM2 P21980 3/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ FYN P06241 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ VCP P55072 1/20 0.44
▸ STAT3 P40763 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ MAP2K7 O14733 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GSTO1 P78417 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ITK Q08881 1/20 0.41

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
SCHEMBL13609844 0.82 TOP1 (0.53) TOP1CYCSABCG2ENPP2STAT3
SCHEMBL16923748 0.81 ALDH1A1 (0.55) TOP1CYCSABCG2ENPP2KDM4E
SCHEMBL16912677 0.81 TOP1 (0.54) TOP1CYCSABCG2ENPP2STAT3
SCHEMBL8572426 0.80 TOP1 (0.53) TOP1CYCSABCG2MAPT
SCHEMBL7258251 0.79 TOP1 (0.56) TOP1CYCSABCG2ENPP2STAT3
SCHEMBL16920374 0.78 SMN1; SMN2 (0.54) TOP1CYCSABCG2KDM4EALDH1A1
SCHEMBL8994447 0.78 TOP1 (0.60) TOP1CYCSABCG2ENPP2KDM4E
Acetic Acid SCHEMBL9639956 0.77 TOP1 (0.67) TOP1CYCSABCG2ENPP2STAT3
SCHEMBL1383664 0.77 TGM2 (0.78) TGM2FYNSRCVCPKDM4E
SCHEMBL30136 0.77 TOP1 (0.64) TOP1CYCSENPP2STAT3STAT1

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
US-8227159-B1 Toner compositions and processes XEROX CORPORATION (US) 2012-07-24 — — US disclosed
US-8227163-B2 Coated carriers XEROX CORPORATION (US) 2012-07-24 — — US disclosed
US-20110236815-A1 COATED CARRIERS XEROX CORPORATION (US) 2011-09-29 — — US disclosed
Send feedback