SCHEMBL23784304

SCHEMBL23784304

COc1ccc(C2=NNC(c3ccc(OC)cc3)N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NISCH Q9Y2I1 1/20 0.42
TNKS2 Q9H2K2 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN4A P35499 1/20 0.38
PTGIR P43119 1/20 0.37

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
SCHEMBL12787062 0.81 NISCH (0.43) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL9578263 0.69 P2RX7 (0.58) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL9578261 0.69 P2RX7 (0.58) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL9578256 0.69 P2RX7 (0.58) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL9578249 0.69 P2RX7 (0.58) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL4679623 0.69 P2RX7 (0.58) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL24028249 0.69 KDM4E (0.58) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL21891264 0.66 MEN1 (0.74) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL19622813 0.66 P2RX7 (0.39) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL7046333 0.65 TNKS2 (0.57) RAB9AALDH1A1MAPTKDM4EGAA

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-3875525-A1 MATERIAL FOR HOT MELT EXTRUSION SYSTEM, MODELING MATERIAL FOR 3D PRINTERS, METHOD FOR PRODUCING MODELING MATERIAL FOR 3D PRINTERS, AND THREE-DIMENSIONAL MODEL KONICA MINOLTA, INC. (JP) 2021-09-08 EP disclosed