SCHEMBL19720602

SCHEMBL19720602

COC(=O)c1cc(C#N)c(N(N)C2CCCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ MAPT P10636 8/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ GPR119 Q8TDV5 5/20 0.37
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ NR1D1 P20393 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL19720598 0.84 MEN1 (0.37) UCHL1USP30MAPTALDH1A1MEN1
SCHEMBL19190254 0.83 HPGD (0.41) HPGDOPRK1UCHL1USP30MAPT
SCHEMBL19720594 0.75 LMNA (0.40) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL19720587 0.75 NR1D1 (0.42) USP30MAPTALDH1A1KMT2AGPR119
SCHEMBL19720568 0.74 NR1D1 (0.39) USP30MAPTALDH1A1GPR119NR1D1
SCHEMBL19720770 0.74 NR1D1 (0.45) HPGDUSP30MAPTALDH1A1MEN1
SCHEMBL19720629 0.74 PDE4B (0.42) HPGDUSP30MAPTALDH1A1GPR119
SCHEMBL16903327 0.74 USP30 (0.42) UCHL1USP30MAPTALDH1A1MEN1
SCHEMBL16901736 0.71 MEN1 (0.41) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL19190253 0.70 ALDH1A1 (0.38) UCHL1USP30MAPTALDH1A1MEN1

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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