SCHEMBL20233115

SCHEMBL20233115

CC(C)C1CCCN(C(=O)CCN(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
F2R P25116 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL14549450 0.92 MAPT (0.39) MEN1KMT2APOLBMAPTNPC1
SCHEMBL20892956 0.92 MEN1 (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL13741632 0.85 ALDH1A1 (0.41) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL24023958 0.84 CHRNB2 (0.36) SMN1; SMN2NPC1SIGMAR1
SCHEMBL16886105 0.83 MEN1 (0.53) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL20082923 0.83 MEN1 (0.53) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL12384628 0.83 NPC1 (0.44) MAPTALDH1A1NPC1CPN1CPB2
SCHEMBL21937928 0.81 MEN1 (0.66) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26731261 0.80 MEN1 (0.45) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26936170 0.80 KMT2A (0.65) MEN1KMT2APOLBMAPTALDH1A1

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-2018102419-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. (US) 2018-06-07 WO disclosed