SCHEMBL19956718

SCHEMBL19956718

Cc1cc(=O)n(CCCC(=O)N2CCN(C)CC2)c(C)c(C)c(=O)n(-c2cccc(Cl)c2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 2/20 0.58
▸ MAPT P10636 4/20 0.47
▸ ESR1 P03372 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ HTR1A P08908 2/20 0.41
▸ HTR7 P34969 1/20 0.41

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
SCHEMBL1301779 0.88 NOX4 (0.75) NOX4MAPTESR1KMT2AHPGD
SCHEMBL1302708 0.77 NOX4 (0.75) NOX4MAPTESR1KMT2AHPGD
SCHEMBL1302975 0.77 NOX4 (0.72) NOX4MAPTESR1KMT2AHPGD
SCHEMBL1303369 0.74 NOX4 (0.87) NOX4MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1303727 0.73 NOX4 (1.00) NOX4ALDH1A1CYP3A4
SCHEMBL1302658 0.70 NOX4 (0.80) NOX4ALDH1A1CYP3A4CYP2C19
SCHEMBL1303656 0.69 NOX4 (0.65) NOX4MAPTSMN1; SMN2ALDH1A1
SCHEMBL1302585 0.69 NOX4 (0.70) NOX4MAPTKMT2ASMN1; SMN2CYP3A4
SCHEMBL4023307 0.67 MAPT (0.57) NOX4MAPTKMT2AHPGDSMN1; SMN2
Dodecane SCHEMBL11373218 0.65 MAPT (0.48) NOX4MAPTKMT2AHPGDSMN1; SMN2

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-2860179-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-03-14 — — EP disclosed
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