SCHEMBL2146193

SCHEMBL2146193

CC(C)(C)NC(=O)[C@@H]1CCN(C(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
ACKR3 P25106 6/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21004319 0.89 POLB (0.50) LMNAKMT2APOLBSMN1; SMN2TP53
SCHEMBL18745372 0.84 BCHE (0.41) LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL18626574 0.84 BCHE (0.41) LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL24411683 0.82 ACKR3 (0.38) LMNAKMT2APOLBSMN1; SMN2TP53
SCHEMBL26138797 0.81 KMT2A (0.39) LMNAKMT2APOLBSMN1; SMN2TP53
SCHEMBL18745367 0.81 ALDH1A1 (0.43) LMNAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL24411712 0.80 POLB (0.44) LMNAKMT2APOLBSMN1; SMN2TP53
SCHEMBL26254874 0.80 KMT2A (0.49) LMNAKMT2APOLBSMN1; SMN2TP53
SCHEMBL24411692 0.80 KMT2A (0.41) LMNAKMT2APOLBSMN1; SMN2TP53
SCHEMBL18745375 0.79 BCHE (0.47) KMT2ASMN1; 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