SCHEMBL21063407

SCHEMBL21063407

COC(=O)c1ccc(C2CNC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
SPR P35270 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGDS O60760 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CRBN Q96SW2 4/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL13490414 0.86 MAPK1 (0.46) MAPK1
SCHEMBL17645765 0.86 MAPK1 (0.57) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL25953854 0.86 MAPK1 (0.57) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL20400835 0.82 MAPK1 (0.53) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL21098093 0.81 P4HA1 (0.53) ALDH1A1MAPT
SCHEMBL21063473 0.79 PDK1 (0.32)
SCHEMBL15984766 0.78 MAPK1 (0.49) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL29318687 0.77
SCHEMBL31601627 0.77 MAPK1 (0.54) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL15878472 0.77 MAPK1 (0.54) MAPK1KDM4EL3MBTL1SPRRAB9A

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-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed