SCHEMBL7987940

SCHEMBL7987940

CNC(=O)c1cc(C)nn1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 1/20 0.56
ATM Q13315 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
BAZ2B Q9UIF8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK14 Q16539 1/20 0.37
BRD4 O60885 1/20 0.35
NAMPT P43490 1/20 0.34
MAPT P10636 1/20 0.34
AURKA O14965 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 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
SCHEMBL1326795 0.80 ATM (0.56) GAAALDH1A1TDP1ATML3MBTL1
SCHEMBL13807471 0.80 ATM (0.56) GAAALDH1A1TDP1ATML3MBTL1
SCHEMBL15428586 0.79 ATM (0.55) GAAALDH1A1TDP1ATML3MBTL1
SCHEMBL14013805 0.79 ALDH1A1 (0.55) GAAALDH1A1TDP1ATML3MBTL1
SCHEMBL552850 0.79 ATM (0.55) GAAALDH1A1TDP1ATML3MBTL1
SCHEMBL12528518 0.78 GAA (0.50) GAAALDH1A1TDP1ATML3MBTL1
SCHEMBL8568508 0.77 SMN1; SMN2 (0.56) GAAALDH1A1L3MBTL1POLBBAZ2B
SCHEMBL1899061 0.76 GAA (0.56) GAAALDH1A1TDP1ATML3MBTL1
SCHEMBL13797533 0.76 ALDH1A1 (0.52) GAAALDH1A1TDP1ATML3MBTL1
SCHEMBL12293398 0.76 ALDH1A1 (0.52) GAAALDH1A1TDP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed