SCHEMBL29133205

SCHEMBL29133205

Cc1nnc(-c2ccc(Br)c(N3CCC3)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
MAPK14 Q16539 3/20 0.46
NOTUM Q6P988 2/20 0.40
HTR1D P28221 3/20 0.40
SLC6A4 P31645 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HTR7 P34969 1/20 0.39
LCK P06239 2/20 0.38
MAP2K1 Q02750 1/20 0.38
CCKBR P32239 1/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL30622234 1.00 MAPT (0.56) MAPTRAB9AMAPK14NOTUMHTR1D
SCHEMBL23850484 0.77 RAB9A (0.65) MAPTRAB9AMAPK14HTR1DSLC6A4
SCHEMBL31587612 0.77 RAB9A (0.65) MAPTRAB9AMAPK14HTR1DSLC6A4
SCHEMBL5113396 0.76 RAB9A (0.45) MAPTRAB9AMAPK14NOTUMSMN1; SMN2
SCHEMBL1199264 0.73 NOTUM (0.46) MAPTRAB9ANOTUMSMN1; SMN2GAA
SCHEMBL4863208 0.72 NPC1 (0.49) MAPTRAB9AMAPK14NOTUMSMN1; SMN2
SCHEMBL4865403 0.72 NPC1 (0.49) MAPTRAB9AMAPK14NOTUMSMN1; SMN2
SCHEMBL8229627 0.72 MAPT (0.47) MAPTRAB9AMAPK14NOTUMHTR1D
SCHEMBL31587825 0.72 MAPT (1.00) MAPTRAB9ASMN1; SMN2GAALMNA
SCHEMBL23851060 0.72 MAPT (1.00) MAPTRAB9ASMN1; SMN2GAALMNA

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-117088884-A Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-21 CN disclosed