SCHEMBL7535208

SCHEMBL7535208

CCN(C(N)=O)c1nc2ccc(Br)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RAD52 P43351 1/20 0.50
MITF O75030 1/20 0.50
IDE P14735 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
DYRK1A Q13627 1/20 0.48
PPARA Q07869 2/20 0.44
MEN1 O00255 1/20 0.43
UBE2N P61088 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7539138 0.85 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTKDM4EHTT
SCHEMBL7534511 0.84 ALDH1A1 (0.51) MAPK1SMN1; SMN2LMNAMAPTHTT
SCHEMBL6068038 0.83 LMNA (0.49) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL7251252 0.83 MAPT (0.52) MAPK1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL7247636 0.81 DYRK1A (0.51) LMNARAB9ANPC1DYRK1A
SCHEMBL7534938 0.81 LMNA (0.47) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL1842323 0.81 NPC1 (0.52) MAPK1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL15265867 0.81 KMT2A (0.40) SMN1; SMN2LMNAMAPTKDM4ERAD52
SCHEMBL7540147 0.80 KMT2A (0.55) MAPK1SMN1; SMN2LMNAMAPTHTT
Hydrochloric Acid SCHEMBL1844041 0.80 NPC1 (0.51) MAPK1SMN1; SMN2LMNAMAPTKDM4E

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