SCHEMBL7537748

SCHEMBL7537748

CCN(C(N)=O)c1nc2cc([N+](=O)[O-])c(Cl)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.43
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RPS6KA3 P51812 3/20 0.36
CHEK2 O96017 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
RAD52 P43351 1/20 0.35
SLC9A1 P19634 1/20 0.35

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
SCHEMBL7540147 0.79 KMT2A (0.55) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL7534511 0.76 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL7539138 0.74 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL7242715 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL15265867 0.72 KMT2A (0.40) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL6067968 0.71 NPC1 (0.54) PGK1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6068038 0.70 LMNA (0.49) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL1842323 0.70 NPC1 (0.52) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL7535028 0.69 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL1844041 0.69 NPC1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTKMT2A

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
CN-1422262-A 2-benzothiazolyl urea derivatives and their use as protein kinase inhibitors ABBOTT GMBH & CO KG (DE) 2003-06-04 CN disclosed
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