SCHEMBL31344809

SCHEMBL31344809

Cc1nc2cc(I)c(N)c(Br)c2s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 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
SCHEMBL31344827 0.76 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL17115155 0.74 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL16518738 0.73 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL31344823 0.72 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL31500704 0.70 TLR8 (0.36) SMN1; SMN2NPC1RAB9AHSD17B10TLR8
SCHEMBL17115195 0.67 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL24401989 0.66 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL16437413 0.66 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL17115183 0.66 GAA (0.44) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL19884338 0.65 NPC1 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1TP53

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-119569651-A Carboxamide derivatives, pharmaceutical compositions containing the same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-03-07 CN disclosed