SCHEMBL28085619

SCHEMBL28085619

CC(C)(C)c1ccc(NC(Cc2ccccc2)C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 5/20 0.47
RAB9A P51151 2/20 0.47
ELANE P08246 1/20 0.45
FPR2 P25090 1/20 0.45
NPC1 O15118 1/20 0.45
PSMB5 P28074 1/20 0.43
KIF11 P52732 1/20 0.43
PTPN1 P18031 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
SCHEMBL5175711 0.94 ALDH1A1 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3569733 0.86 CNR1 (0.50) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL1053745 0.85 ELANE (0.53) EPHX1ELANEPSMB5
SCHEMBL2722699 0.85 ELANE (0.53) EPHX1ELANEPSMB5
SCHEMBL5608371 0.85 ALDH1A1 (0.63) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5608373 0.85 ALDH1A1 (0.63) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28085748 0.84 MAPK1 (0.49) MAPTEPHX1ELANEPSMB5
SCHEMBL28169740 0.82 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4522563 0.81 FPR2 (0.58) MEN1KMT2AEPHX1RAB9AELANE
SCHEMBL27723701 0.81 FPR2 (0.58) MEN1KMT2AEPHX1RAB9AELANE

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-105732413-B The synthesis technique of chiral N aryl amino acids acid amides 成都理工大学 2017-08-25 CN disclosed
CN-105732413-A Synthetic process of chiral N-aromatic amino acid amide 成都理工大学 2016-07-06 CN disclosed