SCHEMBL2146353

SCHEMBL2146353

CC(C)(C)NC(=O)C1CCN(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ACKR3 P25106 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 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
SCHEMBL16095734 0.90 LMNA (0.45) LMNAKMT2APOLBSMN1; SMN2PKM
SCHEMBL21097015 0.81 LMNA (0.46) LMNAKMT2APOLBSMN1; SMN2PKM
SCHEMBL28231420 0.80 SMN1; SMN2 (0.48) LMNAKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL26254874 0.79 KMT2A (0.49) LMNAKMT2APOLBSMN1; SMN2PKM
SCHEMBL2757954 0.79 KMT2A (0.56) LMNAKMT2APOLBSMN1; SMN2PKM
SCHEMBL2146193 0.77 LMNA (0.45) LMNAKMT2APOLBSMN1; SMN2PKM
SCHEMBL2757960 0.77 MAPK8 (0.43) LMNAKMT2APOLBSMN1; SMN2PKM
SCHEMBL15798061 0.77 ITGB3 (0.36) LMNAKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL21995651 0.77 ITGB3 (0.36) LMNAKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL844932 0.77 LMNA (0.43) LMNAKMT2APOLBSMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed