SCHEMBL4757889

SCHEMBL4757889

O=Cc1cc(Br)c(O)c(C(=O)NCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.46
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA3 P07451 9/20 0.46
CA4 P22748 9/20 0.46
CA6 P23280 9/20 0.46
CA5A P35218 9/20 0.46
CA7 P43166 9/20 0.46
CA9 Q16790 9/20 0.46
CA13 Q8N1Q1 9/20 0.46
CA14 Q9ULX7 9/20 0.46
CA5B Q9Y2D0 9/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
PTPN1 P18031 3/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 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
SCHEMBL4757867 0.85 MEN1 (0.48) CA12CA1CA2CA3CA4
SCHEMBL4756920 0.82 KDM4E (0.42) CA12CA1CA2CA3CA4
SCHEMBL4790131 0.79 DNM1 (0.43) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL4757728 0.76 ALDH1A1 (0.55) CA12CA1CA2CA3CA4
SCHEMBL31497642 0.74 PTPN1 (0.69) PTPN1PTPN2PTPN6
SCHEMBL4756919 0.74 PTPN1 (0.69) PTPN1PTPN2PTPN6
SCHEMBL4757696 0.73 PTPN1 (0.41) CA2ALDH1A1PTPN1PTPN2PTPN6
SCHEMBL4756917 0.73 ERN1 (0.50) KDM4EALDH1A1MAPTPTPN1PTPN2
SCHEMBL9705957 0.73 NTRK2 (0.49) CA12CA1CA2CA3CA4
SCHEMBL2511971 0.72 PTPN1 (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed