SCHEMBL7545086

SCHEMBL7545086

CCN(C(N)=O)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
LMNA P02545 4/20 0.40
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HTR2C P28335 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL26448041 0.83 SNCA (0.47) SNCALMNALPLLIPG
SCHEMBL31697629 0.83 SNCA (0.47) SNCALMNALPLLIPG
SCHEMBL31697630 0.79 HTT (0.52) SNCALMNAKMT2ALPLLIPG
SCHEMBL26448034 0.79 HTT (0.52) SNCALMNAKMT2ALPLLIPG
SCHEMBL20552246 0.78 SNCA (0.43) SNCALMNAKMT2ALPLLIPG
SCHEMBL7539138 0.78 SMN1; SMN2 (0.48) LMNAKMT2ATP53
SCHEMBL7534511 0.77 ALDH1A1 (0.51) LMNAKMT2ATP53
SCHEMBL6068038 0.76 LMNA (0.49) LMNAKMT2ATP53
SCHEMBL7540147 0.75 KMT2A (0.55) LMNAKMT2A
SCHEMBL19922430 0.75 SNCA (0.47) SNCAF2F11PRSS1PRSS2

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