SCHEMBL31329342

SCHEMBL31329342

Brc1cccc(CNc2nc3ccccc3[nH]2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
TP53 P04637 2/20 0.71
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 2/20 0.55
GFER P55789 2/20 0.54
HTT P42858 1/20 0.54
HIF1A Q16665 1/20 0.54
APP P05067 2/20 0.52
MAPK1 P28482 2/20 0.52
ALOX15 P16050 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
PKM P14618 1/20 0.50
BCHE P06276 1/20 0.49
TRPC3 Q13507 1/20 0.49
TRPC4 Q9UBN4 1/20 0.49
TRPC5 Q9UL62 1/20 0.49

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
SCHEMBL31329355 0.89 RAB9A (0.58) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329346 0.84 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL27915818 0.84 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329340 0.84 RAB9A (1.00) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL3593419 0.84 RAB9A (1.00) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329350 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329351 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329338 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL2028202 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329337 0.82 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2TP53MEN1KMT2A

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