SCHEMBL4172363

SCHEMBL4172363

COc1cc(N2CCN(C(=O)NC(C)(C)C)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
GFER P55789 1/20 0.44
P2RY12 Q9H244 1/20 0.43
RBP4 P02753 1/20 0.42
ALK Q9UM73 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 2/20 0.42

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
SCHEMBL4170621 0.86 MAPT (0.47) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL4172479 0.84 ALK (0.50) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL4174848 0.83 L3MBTL1 (0.61) MAPTSMN1; SMN2ALDH1A1KMT2AALK
SCHEMBL2205957 0.82 CASP6 (0.59) MAPTMEN1KMT2ALMNAGFER
SCHEMBL13362096 0.82 HTR1A (0.51) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL11294977 0.82 CCR1 (0.46) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL1707770 0.81 MAPT (0.57) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL4173897 0.81 CCR1 (0.48) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL4162968 0.80 LMNA (0.46) MAPTSMN1; SMN2LMNAUSP2TP53
SCHEMBL15358736 0.80 ALDH1A1 (0.53) MAPTMEN1ALDH1A1KMT2ALMNA

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-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 WO disclosed