SCHEMBL7760164

SCHEMBL7760164

ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.O=S(=O)(c1ccccc1)C(Br)(Br)Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 3/20 0.38
CYP3A4 P08684 1/20 0.38
HTR6 P50406 1/20 0.37
CCNB2 O95067 2/20 0.35
CCNE2 O96020 2/20 0.35
CDK1 P06493 2/20 0.35
CDK4 P11802 2/20 0.35
CCNB1 P14635 2/20 0.35
CCND1 P24385 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 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
Benzene SCHEMBL8203386 0.82 HTR6 (0.52) ALDH1A1HSD17B10TDP1TSHRHTR6
SCHEMBL152444 0.82 HTR6 (0.52) ALDH1A1HSD17B10TDP1TSHRHTR6
SCHEMBL4640457 0.82 HTR6 (0.52) ALDH1A1HSD17B10TDP1TSHRHTR6
Methane SCHEMBL29092261 0.80 HTR6 (0.50) ALDH1A1HSD17B10TDP1TSHRHTR6
Methylene Chloride SCHEMBL9301312 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1TSHRHTR6
Silver SCHEMBL7967941 0.78 HTR6 (0.48) ALDH1A1HSD17B10TDP1TSHRHTR6
SCHEMBL7762376 0.74 HTR6 (0.64) ALDH1A1HSD17B10TDP1TSHRCYP3A4
SCHEMBL9555333 0.73 CES1 (0.42) ALDH1A1HSD17B10TDP1TSHRSMN1; SMN2
SCHEMBL28227130 0.72 HTR6 (0.42) ALDH1A1HSD17B10TDP1TSHRHTR6
SCHEMBL28108578 0.72 HTR6 (0.42) ALDH1A1HSD17B10TDP1TSHRHTR6

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-1079972-A1 IR-SENSITIVE COMPOSITION AND USE THEREOF FOR THE PREPARATION OF PRINTING PLATE PRECURSORS Kodak Polychrome Graphics Company Ltd. (US) 2001-03-07 EP claimed
WO-2000048836-A1 IR-SENSITIVE COMPOSITION AND USE THEREOF FOR THE PREPARATION OF PRINTING PLATE PRECURSORS KODAK POLYCHROME GRAPHICS COMPANY, LTD. (US) 2000-08-24 WO claimed