SCHEMBL28830732

SCHEMBL28830732

CC(C)(C)NC(=O)OC[C@@H](N)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SLC6A2 P23975 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
ITGA5 P08648 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL27635132 0.86 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28076478 0.85 F9 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28076445 0.85 ALDH1A1 (0.40) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL27770762 0.84 MAPT (0.46) MAPTLMNASMN1; SMN2SCN4ANPSR1
SCHEMBL28041869 0.81 ALDH1A1 (0.43) MAPTLMNATSHRSLC6A2SLC6A4
SCHEMBL28094567 0.81 DPP4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28136985 0.80 SLC6A2 (0.41) TSHRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10216868 0.79 CYP1A2 (0.50) SMN1; SMN2GBA1SCN4ANPSR1
SCHEMBL19265306 0.79 CYP1A2 (0.50) SMN1; SMN2GBA1SCN4ANPSR1
Hydrochloric Acid SCHEMBL3446837 0.78 CYP1A2 (0.49) SMN1; SMN2GBA1SCN4ANPSR1

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
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 CN disclosed
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed