SCHEMBL31329338

SCHEMBL31329338

Clc1cccc(CNc2nc3ccccc3[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
TP53 P04637 2/20 0.71
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
GFER P55789 2/20 0.58
LMNA P02545 2/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 1/20 0.55
HTT P42858 1/20 0.54
HIF1A Q16665 1/20 0.54
FABP4 P15090 1/20 0.54
APP P05067 2/20 0.52
PDE5A O76074 1/20 0.50
PKM P14618 1/20 0.50
MAPK8 P45983 1/20 0.49
TYMS P04818 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
SCHEMBL31329352 0.84 RAB9A (0.53) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL27915820 0.84 RAB9A (0.77) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL31329347 0.84 RAB9A (0.77) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL3593419 0.84 RAB9A (1.00) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL31329340 0.84 RAB9A (1.00) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL12658352 0.83 RAB9A (0.67) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL31329351 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL31329342 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL31329350 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53KMT2AMEN1
SCHEMBL2028202 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53KMT2AMEN1

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