Sugi Predict

Sugi Predict / Compounds / SCHEMBL11038732

SCHEMBL11038732

SCHEMBL11038732

O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c2ccc3c(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c4ccc1c2c43

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29863001 0.87 CA1 (0.34) TRPV4ALDH1A1HSD17B10
SCHEMBL7104929 0.87 TRPV4 (0.34) TRPV4ALDH1A1HSD17B10
SCHEMBL667035 0.87 MPL (0.33) TRPV4ALDH1A1HSD17B10
SCHEMBL579933 0.87 CA1 (0.34) TRPV4ALDH1A1HSD17B10
SCHEMBL16380316 0.87 MPL (0.33) TRPV4ALDH1A1HSD17B10
SCHEMBL9614361 0.85 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1
SCHEMBL587142 0.82 POLB (0.33) TRPV4
SCHEMBL10456068 0.81 KDM4E (0.33) TRPV4ALDH1A1
SCHEMBL586454 0.81 AURKA (0.32) ALDH1A1HSD17B10
SCHEMBL580182 0.78 KDM4E (0.37) ALDH1A1

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 3 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
EP-0061013-A1 Process for the preparation of polyisocyanates BAYER AG (DE) 1982-09-29 — — EP disclosed