SCHEMBL27362428

SCHEMBL27362428

Cc1c(N)ccc2c1COC(NCCc1ccccc1)=N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 3/20 0.34
APP P05067 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL27364669 0.86 NPC1 (0.34) PKMMAPK1TAAR1NPC1RAB9A
SCHEMBL27362385 0.81 TAAR1 (0.37) PKMMAPK1TAAR1NPC1RAB9A
SCHEMBL27363422 0.79 KMT2A (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL27357166 0.76 ATM (0.44) PKMMAPK1NPC1RAB9AALDH1A1
SCHEMBL27355463 0.76 CTRB1 (0.38) NPC1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27357170 0.76 HDAC6 (0.38) PKMMAPK1TAAR1NPC1RAB9A
SCHEMBL27364670 0.75 APP (0.36) PKMMAPK1TAAR1NPC1RAB9A
SCHEMBL27383640 0.75 ALDH1A1 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL27363485 0.71 GAA (0.32) GAA
SCHEMBL27379949 0.71 TAAR1 (0.37) TAAR1ADORA2AGAA

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-1070480-C 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 2001-09-05 CN disclosed