SCHEMBL28079633

SCHEMBL28079633

CCc1nc(-c2ccc(Br)cc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
RAB9A P51151 6/20 0.40
METAP2 P50579 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 4/20 0.36
APP P05067 1/20 0.36
PAX8 Q06710 1/20 0.36
GAA P10253 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL14039561 0.84 METAP2 (0.47) NPC1SMN1; SMN2RAB9AMETAP2NFKB1
SCHEMBL27909694 0.84 RAD51 (0.42) NPC1SMN1; SMN2RAB9AMETAP2L3MBTL1
SCHEMBL855275 0.82 METAP2 (0.38) NPC1SMN1; SMN2RAB9AMETAP2KDM4E
SCHEMBL8012285 0.82 TLR8 (0.39) NPC1SMN1; SMN2RAB9AMETAP2NFKB1
SCHEMBL19405233 0.82 ALDH1A1 (0.39) NPC1SMN1; SMN2RAB9AL3MBTL1MAPK1
SCHEMBL457222 0.81 SMN1; SMN2 (0.56) NPC1SMN1; SMN2RAB9AL3MBTL1MAPK1
SCHEMBL10273880 0.81 IDO1 (0.45) NPC1SMN1; SMN2RAB9AMETAP2MAPT
SCHEMBL27834569 0.81 HRH3 (0.45) NPC1SMN1; SMN2RAB9AMETAP2L3MBTL1
SCHEMBL948854 0.80 GSK3B (0.44) NPC1SMN1; SMN2RAB9AMAPK1LMNA
SCHEMBL8010665 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ADORA2AADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed