SCHEMBL7542661

SCHEMBL7542661

CCN(C(N)=O)c1nc2c(s1)C(=O)C(Br)CC2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
ELANE P08246 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
SCHEMBL7540660 0.77 ALDH1A1 (0.48) ALDH1A1
SCHEMBL8073165 0.70 KDM4E (0.33) ALDH1A1ELANE
SCHEMBL4597273 0.70 ALDH1A1 (0.50) ALDH1A1ELANE
SCHEMBL7601537 0.69 TGFBR1 (0.35) ALDH1A1
Bromide SCHEMBL6118973 0.68 KDM4E (0.35) ALDH1A1ELANE
SCHEMBL6067826 0.68 NPC1 (0.41) ALDH1A1
SCHEMBL1052638 0.68 LMNA (0.42) ALDH1A1
SCHEMBL7478299 0.67 ALDH1A1 (0.34) ALDH1A1ELANE
SCHEMBL7545430 0.65 ALOX5 (0.32)
SCHEMBL11359838 0.65 ALOX15 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO disclosed