SCHEMBL31329355

SCHEMBL31329355

Brc1cccc(CNc2nc3ccc(Br)cc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
GFER P55789 1/20 0.58
HIF1A Q16665 1/20 0.58
TP53 P04637 2/20 0.55
HDAC6 Q9UBN7 2/20 0.54
TYMS P04818 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
PIM1 P11309 1/20 0.44
CDC7 O00311 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL31329337 0.90 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL31329352 0.90 RAB9A (0.53) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL31329342 0.89 RAB9A (0.71) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL24329881 0.75 ALDH1A1 (0.64) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL27915818 0.75 RAB9A (0.77) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL31329346 0.75 RAB9A (0.77) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL5984336 0.74 RIPK1 (0.62) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL18058955 0.73 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL2146355 0.72 ALDH1A1 (0.56) RAB9ALMNAHTTHDAC6TYMS
SCHEMBL31329350 0.72 RAB9A (0.71) RAB9ASMN1; SMN2LMNAHTTGFER

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-119330886-A Benzimidazole amine derivative, preparation method thereof and beta2Use of allosteric antagonists of adrenergic receptors 常州大学 2025-01-21 CN disclosed