SCHEMBL11049698

SCHEMBL11049698

O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c2cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPV4 Q9HBA0 2/20 0.32
APEX1 P27695 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28530962 0.87 TDP1 (0.41) TDP1ALDH1A1HSD17B10TRPV4APEX1
SCHEMBL31519761 0.87 TDP1 (0.41) TDP1ALDH1A1HSD17B10TRPV4APEX1
SCHEMBL2196286 0.81 ALDH1A1 (0.40) TDP1ALDH1A1HSD17B10TRPV4LMNA
SCHEMBL306373 0.78 ALDH1A1 (0.37) TDP1ALDH1A1HSD17B10TRPV4CA1
SCHEMBL29376991 0.78 ALDH1A1 (0.37) TDP1ALDH1A1HSD17B10TRPV4CA1
SCHEMBL6516449 0.77 TDP1 (0.39) TDP1ALDH1A1HSD17B10TRPV4APEX1
SCHEMBL4517194 0.77 CA1 (0.46) TDP1ALDH1A1HSD17B10CA1CA2
SCHEMBL218559 0.76 ALDH1A1 (0.53) TDP1ALDH1A1HSD17B10TRPV4CA1
SCHEMBL6520791 0.75 ALDH1A1 (0.37) TDP1ALDH1A1HSD17B10TRPV4
SCHEMBL6512667 0.75 ALDH1A1 (0.37) TDP1ALDH1A1HSD17B10TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061013-B1 PROCESS FOR THE PREPARATION OF POLYISOCYANATES BAYER AG (DE) 1984-06-27 EP disclosed
US-4388246-A THERMAL SPLITTING OF CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
US-4369191-A COMPLEMENT INHIBITION AMERICAN CYANAMID COMPANY (US) 1983-01-18 US disclosed
EP-0061013-A1 Process for the preparation of polyisocyanates BAYER AG (DE) 1982-09-29 EP disclosed
US-4265830-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1981-05-05 US disclosed
US-4266077-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1981-05-05 US disclosed