SCHEMBL28936596

SCHEMBL28936596

Clc1ccccc1Br.Oc1ccc(Cl)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 5/20 0.47
CXCR2 P25025 2/20 0.47
ALOX15 P16050 5/20 0.43
CYP3A4 P08684 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALOX12 P18054 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HIF1A Q16665 3/20 0.41
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL29629596 0.85
SCHEMBL91153 0.85
SCHEMBL28700548 0.83 ALOX15 (0.54) HSD17B10TSHRALDH1A1CXCR2ALOX15
SCHEMBL28708943 0.83 ALOX15 (0.54) HSD17B10TSHRALDH1A1CXCR2ALOX15
SCHEMBL28686760 0.83 ALOX15 (0.54) HSD17B10TSHRALDH1A1CXCR2ALOX15
Clorophene SCHEMBL28270039 0.77 MEN1 (0.77) HSD17B10TSHRALDH1A1CXCR2ALOX15
SCHEMBL251393 0.76
SCHEMBL29637350 0.76
Methyl Alcohol SCHEMBL27865100 0.74 TSHR (0.47) TSHRALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL1005643 0.73

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
CN-109054378-B Enhancing antimicrobial activity of biocides with polymers 巴斯夫欧洲公司 2021-10-01 CN disclosed