SCHEMBL27896232

SCHEMBL27896232

CC(C)(C)N(CCF)C(=O)OC(CN)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 2/20 0.36
RECQL P46063 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 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
SCHEMBL237343 0.74 ALDH1A1 (0.46) CYP3A4RECQLCYP1A2PPARGPPARA
SCHEMBL28384602 0.69 MEN1 (0.47) MEN1KMT2AL3MBTL1HTTNPC1
SCHEMBL28388205 0.67 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1HTT
SCHEMBL27634846 0.64 KMT2A (0.50) MEN1KMT2AL3MBTL1RAB9ASMN1; SMN2
SCHEMBL28385517 0.64 MEN1 (0.47) MEN1KMT2AL3MBTL1HTTNPC1
SCHEMBL28771530 0.63 CYP3A4 (0.43) CYP3A4RECQLCYP1A2PPARGPPARA
SCHEMBL28771528 0.63 CYP3A4 (0.43) CYP3A4RECQLCYP1A2PPARGPPARA
SCHEMBL2212129 0.63 CYP3A4 (0.43) MEN1KMT2AL3MBTL1HTTCYP3A4
SCHEMBL5940486 0.63 SMN1; SMN2 (0.55) CYP3A4RECQLCYP1A2PPARGPPARA
SCHEMBL5556046 0.62 CYP3A4 (0.49) CYP3A4RECQLCYP1A2PPARGPPARA

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
CN-102762101-A Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HIGH POINT PHARMACEUTICALS LLC 2012-10-31 CN disclosed