SCHEMBL7536844

SCHEMBL7536844

CCN(C(N)=O)c1nc2cccc(Sc3ccccc3)c2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.38
ALDH1A1 P00352 3/20 0.36
DHFR P00374 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
BRCA1 P38398 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7588936 0.76 KMT2A (0.40) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL7597754 0.76 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL1842323 0.75 NPC1 (0.52) ALDH1A1TSHRHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL1844041 0.74 NPC1 (0.51) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL27586270 0.73 SIRT1 (0.43) SIRT1ALDH1A1DHFRMEN1KMT2A
SCHEMBL6067996 0.71 NPC1 (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7545430 0.70 ALOX5 (0.32) MEN1KMT2AALOX5CXCL12
SCHEMBL27570327 0.68 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27566816 0.66 NPC1 (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL7242715 0.66 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AMAPK1

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