SCHEMBL4668702

SCHEMBL4668702

O=C(O)Nc1cc(Cl)c(NCCO)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.36
MT-CO2 P00403 1/20 0.36
CISD1 Q9NZ45 6/20 0.35
KMT2A Q03164 1/20 0.35
CXCR2 P25025 1/20 0.35
FTO Q9C0B1 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4667416 0.86 CYP1A2 (0.36) TDP1MT-CO2CISD1CXCR2FTO
SCHEMBL4669243 0.85 CASR (0.39) POLBKMT2ACXCR2CA1CA2
SCHEMBL7256081 0.84 TDP1 (0.41) TDP1MT-CO2CISD1HPGDKDM4E
SCHEMBL4668883 0.84 ALDH1A1 (0.38) TDP1MT-CO2CISD1CXCR2CA1
SCHEMBL7257196 0.83 ALDH1A1 (0.50) POLBKMT2AHPGDALDH1A1NLRP3
SCHEMBL4670142 0.82 APEX1 (0.40) TDP1MT-CO2CISD1HPGDKDM4E
SCHEMBL7251828 0.81 SMN1; SMN2 (0.38) TDP1POLBHPGDALDH1A1GAA
SCHEMBL4667399 0.81 KDR (0.39) CISD1KMT2AKDM4EGAAHTT
SCHEMBL4668040 0.81 MAPT (0.36) TDP1MT-CO2KMT2ACA1CA2
SCHEMBL4667314 0.80 MAPK1 (0.49) TDP1CISD1CXCR2CA1CA2

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
EP-1129689-B1 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing OREAL (FR) 2008-07-09 EP claimed