SCHEMBL7588936

SCHEMBL7588936

CCN(C(N)=O)c1nc2cccc(S(=O)(=O)c3ccccc3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
IKBKB O14920 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PAX8 Q06710 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTR6 P50406 2/20 0.35
C1S P09871 1/20 0.34
CXCL8 P10145 1/20 0.34
NOD1 Q9Y239 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7536844 0.76 SIRT1 (0.38) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL7597754 0.75 ALDH1A1 (0.33) KMT2AMEN1POLBL3MBTL1KDM4E
SCHEMBL1842323 0.74 NPC1 (0.52) KMT2AMEN1POLBL3MBTL1KDM4E
SCHEMBL27586338 0.74 ALDH1A1 (0.45) KMT2AMEN1POLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1844041 0.73 NPC1 (0.51) KMT2AMEN1POLBL3MBTL1KDM4E
SCHEMBL6067890 0.72 NPC1 (0.59) KMT2AMEN1ALDH1A1GAA
SCHEMBL27570327 0.68 ALDH1A1 (0.36) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL7242715 0.65 ALDH1A1 (0.40) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL27566816 0.65 NPC1 (0.44) KMT2AMEN1KDM4ELMNATP53
SCHEMBL16975325 0.65 ALDH1A1 (0.52) KMT2AMEN1POLBL3MBTL1KDM4E

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