SCHEMBL11294967

SCHEMBL11294967

O=S(=O)(Cl)c1ccc(-c2ccc(CCl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA2 P00918 12/20 0.42
▸ CA1 P00915 11/20 0.42
▸ CA9 Q16790 10/20 0.40
▸ CA12 O43570 9/20 0.40
▸ CA14 Q9ULX7 6/20 0.40
▸ UCHL1 P09936 1/20 0.38
▸ CA4 P22748 2/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA5B Q9Y2D0 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LSS P48449 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CA6 P23280 1/20 0.34
▸ CA7 P43166 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
SCHEMBL396619 0.93 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CA2CA1
SCHEMBL1939063 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1CA2CA1
SCHEMBL5891023 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10TDP1CA2CA1
SCHEMBL150162 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10TDP1CA2CA1
Water SCHEMBL7024182 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10TDP1CA2CA1
SCHEMBL11335180 0.81 LMNA (0.46) ALDH1A1TDP1CA2CA1CA9
SCHEMBL9456876 0.78 HRH3 (0.47) CA2CA1LMNAHTT
SCHEMBL187751 0.78 HRH3 (0.47) CA2CA1LMNAHTT
SCHEMBL3539406 0.77 CYP3A4 (0.52) ALDH1A1HSD17B10CA2CA1CA9
SCHEMBL11582128 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009679-B1 FLUORESCENT DYESTUFFS OF THE STILBENE SERIES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE WHITENING OF ORGANIC MATERIALS AND AS LASER DYESTUFFS BAYER AG (DE) 1982-04-21 — — EP disclosed
EP-0042181-A2 Diphenyl derivatives BAYER AG (DE) 1981-12-23 — — EP disclosed
US-4301091-A FOR WHITENING AND FOR LASER EMISSION BAYER AKTIENGESELLSCHAFT (DE) 1981-11-17 — — US disclosed
EP-0009679-A1 Fluorescent dyestuffs of the stilbene series, process for their preparation and their use in the whitening of organic materials and as laser dyestuffs BAYER AG (DE) 1980-04-16 — — EP disclosed
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