SCHEMBL29967507

SCHEMBL29967507

Cc1cc(Nc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 2/20 0.48
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAP4K4 O95819 1/20 0.44
▸ GPR119 Q8TDV5 4/20 0.42
▸ MET P08581 1/20 0.41
▸ CKS1B P61024 2/20 0.41
▸ SKP1 P63208 2/20 0.41
▸ SKP2 Q13309 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL23410408 1.00 WNT3A (0.48) WNT3AJAK2JAK1MAPTALDH1A1
SCHEMBL23410608 0.90 JAK2 (0.47) WNT3AJAK2JAK1MAPTALDH1A1
SCHEMBL25410990 0.90 JAK2 (0.43) WNT3AJAK2JAK1MAPTALDH1A1
SCHEMBL23410660 0.89 ALDH1A1 (0.43) WNT3AMAPTALDH1A1LMNAMAP4K4
SCHEMBL29967081 0.89 ALDH1A1 (0.43) WNT3AMAPTALDH1A1LMNAMAP4K4
SCHEMBL23410444 0.89 PDE10A (0.44) WNT3AJAK2JAK1MAPTALDH1A1
SCHEMBL23410855 0.88 ALDH1A1 (0.44) WNT3AMAPTALDH1A1LMNAMAP4K4
SCHEMBL23410314 0.88 ALDH1A1 (0.48) JAK2JAK1MAPTALDH1A1LMNA
SCHEMBL29898983 0.88 ALDH1A1 (0.48) JAK2JAK1MAPTALDH1A1LMNA
SCHEMBL23410794 0.88 PTPN2 (0.43) WNT3AMAPTALDH1A1LMNAMAP4K4

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
EP-4065110-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 — — EP disclosed
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