SCHEMBL30413370

SCHEMBL30413370

[N-]=[N+]=NCCC(Nc1nc2ccccc2[nH]1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.42
▸ PDE10A Q9Y233 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 6/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ PKM P14618 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ RUNX1 Q01196 1/20 0.33
▸ CBFB Q13951 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 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
SCHEMBL20764709 1.00 MTOR (0.42) MTORPDE10AMEN1KMT2ANPC1
SCHEMBL20792222 0.85 MTOR (0.46) MTORPDE10AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL30412872 0.84 MTOR (0.45) MTORPDE10AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL22321399 0.84 MTOR (0.45) MTORPDE10AMEN1KMT2ANPC1
SCHEMBL30410997 0.80 MTOR (0.48) MTORPDE10AMEN1KMT2ANPC1
SCHEMBL20764736 0.80 MTOR (0.48) MTORPDE10AMEN1KMT2ANPC1
SCHEMBL30412413 0.78 ITGA5 (0.41) MTORMEN1KMT2ANPC1RAB9A
SCHEMBL20764657 0.78 ITGA5 (0.41) MTORMEN1KMT2ANPC1RAB9A
SCHEMBL20743025 0.77 MTOR (0.49) MTORMEN1KMT2ANPC1RAB9A
SCHEMBL19283638 0.75 MTOR (0.46) MTORMEN1KMT2ANPC1RAB9A

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-111372928-B Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2023-05-16 — — CN disclosed
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