SCHEMBL7140883

SCHEMBL7140883

Cc1c(Br)cc(Br)c2c1C(=Cc1cc(Br)c(OCc3ccccc3)c(C(C)(C)C)c1)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.52
EGFR P00533 2/20 0.52
IGF1R P08069 1/20 0.39
PPARG P37231 2/20 0.39
PTPN1 P18031 1/20 0.38
SIRT2 Q8IXJ6 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SIRT1 Q96EB6 4/20 0.37
SIRT5 Q9NXA8 3/20 0.37
SIRT3 Q9NTG7 1/20 0.37
MEN1 O00255 2/20 0.37
APEX1 P27695 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL7139003 0.96 ERBB2 (0.48) ERBB2EGFRIGF1RPPARGPTPN1
SCHEMBL7134258 0.92 ERBB2 (0.45) ERBB2EGFRIGF1RPPARGPTPN1
SCHEMBL7135676 0.92 ERBB2 (0.45) ERBB2EGFRIGF1RPPARGPTPN1
SCHEMBL7134059 0.88 SIRT2 (0.49) ERBB2EGFRPPARGPTPN1SIRT2
SCHEMBL5363012 0.87 ERBB2 (0.56) ERBB2EGFRIGF1RPPARGPTPN1
SCHEMBL7133930 0.87 PPARG (0.42) ERBB2EGFRPPARGPTPN1SIRT2
SCHEMBL5376920 0.85 ERBB2 (0.56) ERBB2EGFRIGF1RPPARGPTPN1
SCHEMBL7132027 0.83 ERBB2 (0.60) ERBB2EGFRIGF1RSIRT2TDP1
SCHEMBL5374088 0.83 ERBB2 (0.53) ERBB2EGFRIGF1RPPARGPTPN1
SCHEMBL7138210 0.82 PPARG (0.60) EGFRPPARGPTPN1SIRT2SIRT1

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed