SCHEMBL7545430

SCHEMBL7545430

CCN(C(N)=O)c1nc2c(s1)C(Sc1ccccc1)=CCC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CXCL12 P48061 1/20 0.31
SLC27A1 Q6PCB7 1/20 0.30

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
SCHEMBL7540486 0.70 SLC27A1 (0.33) MEN1KMT2ASLC27A1
SCHEMBL7536844 0.70 SIRT1 (0.38) ALOX5MEN1KMT2ACXCL12
SCHEMBL7540660 0.69 ALDH1A1 (0.48) POLBSLC27A1
SCHEMBL7601537 0.68 TGFBR1 (0.35) SLC27A1
SCHEMBL7542661 0.65 ALDH1A1 (0.36)
SCHEMBL1842323 0.64 NPC1 (0.52) ALOX5MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL1844041 0.63 NPC1 (0.51) ALOX5MEN1POLBKMT2A
SCHEMBL27566816 0.61 NPC1 (0.44) MEN1KMT2A
SCHEMBL11359838 0.60 ALOX15 (0.39) MEN1POLBKMT2ASLC27A1
SCHEMBL340272 0.59 ALDH1A1 (0.70) MEN1KMT2A

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