SCHEMBL4378995

SCHEMBL4378995

O=S(=O)(Cl)c1ccc2onc(CBr)c2c1.O=S(=O)(O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
MAOB P27338 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP3A4 P08684 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 5/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL691641 0.96 LMNA (0.39) MAPTLMNACA12CA1CA2
Hydrochloric Acid SCHEMBL27845584 0.86 MAPT (0.40) MAPTLMNACA12CA1CA2
SCHEMBL692169 0.76 MAPT (0.47) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL692238 0.74 ALDH1A1 (0.36) MAPTLMNACA12CA1CA2
SCHEMBL692261 0.73 BRD4 (0.46)
SCHEMBL8349122 0.73 ALPL (0.37) MAPTLMNACA12CA1CA2
SCHEMBL6833044 0.72 PTPN1 (0.36) MAPTSMN1; SMN2GAAALDH1A1HSD17B10
SCHEMBL8276503 0.72 FAAH (0.42) MAPTLMNASMN1; SMN2TP53GAA
SCHEMBL23218521 0.71 MAPT (0.41) MAPTLMNACA12CA1CA2
SCHEMBL29591789 0.71 MAPT (0.41) MAPTLMNACA12CA1CA2

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-1750696-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-07-15 EP disclosed
EP-1750696-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2007-02-14 EP disclosed
WO-2005110428-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed