SCHEMBL168215

SCHEMBL168215

CN(C)Cc1cccc(C(=O)Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NOS1 P29475 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
MEP1B Q16820 3/20 0.42
MEP1A Q16819 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK2 O75116 3/20 0.41
HPGD P15428 1/20 0.41
PTPN1 P18031 1/20 0.41
FOLH1 Q04609 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL3694401 0.84 NOS1 (0.51) KMT2AMEN1NOS1ALDH1A1TSHR
SCHEMBL168738 0.84 FOLH1 (0.59) KMT2AMEN1ALDH1A1TSHRMEP1B
SCHEMBL29630981 0.84 FOLH1 (0.59) KMT2AMEN1ALDH1A1TSHRMEP1B
Hydrochloric Acid SCHEMBL15067497 0.82 FOLH1 (0.58) KMT2AMEN1ALDH1A1TSHRMEP1B
SCHEMBL2911625 0.82 MEP1B (0.59) KMT2AMEN1NOS1MEP1BROCK2
Hydrochloric Acid SCHEMBL29690742 0.82 FOLH1 (0.58) KMT2AMEN1ALDH1A1TSHRMEP1B
Hydrochloric Acid SCHEMBL3863131 0.81 MEP1B (0.57) KMT2AMEN1NOS1MEP1BROCK2
SCHEMBL27379923 0.81 KMT2A (0.46) KMT2AMEN1NOS1ALDH1A1TSHR
SCHEMBL12669377 0.81 KMT2A (0.46) KMT2AMEN1NOS1ALDH1A1TSHR
SCHEMBL40196 0.79 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1TSHRMEP1B

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-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed