SCHEMBL4756917

SCHEMBL4756917

NC(=O)c1cc(C=O)cc(Br)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.50
PTPN1 P18031 5/20 0.49
PTPN2 P17706 2/20 0.49
PTPN6 P29350 2/20 0.49
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PRMT1 Q99873 1/20 0.36
POLB P06746 1/20 0.35
TTR P02766 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL31497642 0.83 PTPN1 (0.69) ERN1PTPN1PTPN2PTPN6AKR1C4
SCHEMBL4756919 0.83 PTPN1 (0.69) ERN1PTPN1PTPN2PTPN6AKR1C4
SCHEMBL22120150 0.80 ALDH1A1 (0.42) ERN1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL373244 0.80 ERN1 (0.52) ERN1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL4755669 0.78 CYP2C9 (0.43) ERN1MAPTFNTAFNTBTTR
SCHEMBL2511971 0.77 PTPN1 (0.45) ERN1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL895511 0.76 AKR1C4 (0.67) ERN1PTPN1ALDH1A1MAPK1AKR1C4
SCHEMBL1005213 0.74 EGFR (0.50) ERN1PTPN1KDM4EPRMT1TRPA1
SCHEMBL29396510 0.74 EGFR (0.50) ERN1PTPN1KDM4EPRMT1TRPA1
SCHEMBL4757716 0.74 KMT2A (0.49) ERN1ALDH1A1MAPK1MAPTKMT2A

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