SCHEMBL19720587

SCHEMBL19720587

Cc1cccc([N+](=O)[O-])c1N(N)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ USP30 Q70CQ3 4/20 0.40
▸ GPR119 Q8TDV5 3/20 0.38
▸ BTK Q06187 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37

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
SCHEMBL19720770 0.90 NR1D1 (0.45) NR1D1MAPTALDH1A1LMNAUSP30
SCHEMBL19720586 0.85 USP30 (0.43) MAPTALDH1A1USP30GPR119KMT2A
SCHEMBL19720594 0.83 LMNA (0.40) NR1D1MAPTALDH1A1LMNAUSP30
SCHEMBL19720568 0.82 NR1D1 (0.39) NR1D1MAPTALDH1A1LMNAUSP30
SCHEMBL19720629 0.82 PDE4B (0.42) NR1D1MAPTALDH1A1LMNAUSP30
SCHEMBL16895884 0.79 USP30 (0.47) MAPTALDH1A1LMNAUSP30KMT2A
SCHEMBL29480854 0.79 USP30 (0.47) MAPTALDH1A1LMNAUSP30KMT2A
SCHEMBL16895885 0.79 USP30 (0.47) MAPTALDH1A1LMNAUSP30KMT2A
SCHEMBL19720790 0.77 ALDH1A1 (0.42) NR1D1MAPTALDH1A1LMNAKMT2A
SCHEMBL19720602 0.75 HPGD (0.39) NR1D1MAPTALDH1A1USP30GPR119

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-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 — — EP disclosed
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