SCHEMBL16181783

SCHEMBL16181783

Cc1ncc(N)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
DHFR P00374 2/20 0.32
UHRF1 Q96T88 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
ATP2A3 Q93084 1/20 0.31
PIK3CG P48736 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL14107967 0.83 MAP4K4 (0.31) KDM4ENOS3NOS1NOS2
SCHEMBL23495420 0.83 GLA (0.32) HSD17B10POLBNOS3NOS1NOS2
SCHEMBL29455898 0.81 GAA (0.42) HSD17B10POLBKDM4ERAB9AALDH1A1
SCHEMBL19349268 0.81 GAA (0.42) HSD17B10POLBKDM4ERAB9AALDH1A1
SCHEMBL20868499 0.78 KDM4E (0.33) POLBKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL16080758 0.77 SMN1; SMN2 (0.44) HSD17B10POLBKDM4ENOS3NOS1
SCHEMBL25111658 0.77 PIK3CD (0.38) POLBKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL13688735 0.76 HSP90AA1 (0.36) POLBKDM4EALDH1A1SMN1; SMN2CA2
SCHEMBL13145646 0.74 L3MBTL1 (0.33) HSD17B10POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL22679517 0.74 ALDH1A1 (0.43) HSD17B10POLBKDM4EALDH1A1SMN1; SMN2

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
EP-2552907-B1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed