SCHEMBL16638869

SCHEMBL16638869

C=Cc1ccc(-c2c3c(=O)n(C)[nH]c3cc(=O)n2CCCOCC)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ APOBEC3G Q9HC16 2/20 0.33
▸ TSHR P16473 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL1303588 0.86 APOBEC3G (0.46) NOX4ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL19956753 0.86 NOX4 (0.38) NOX4ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL1302503 0.80 NOX4 (0.40) NOX4ALDH1A1MAPTKDM4EAPOBEC3G
SCHEMBL1301676 0.72 NOX4 (0.56) NOX4
SCHEMBL2210536 0.72 NOX4 (0.47) NOX4APOBEC3GMAPK1
SCHEMBL19956775 0.72 APOBEC3G (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2APOBEC3G
SCHEMBL2219153 0.70 NOX4 (0.45) NOX4MAPTKDM4EAPOBEC3GTSHR
SCHEMBL2217962 0.67 NOX4 (0.43) NOX4ALDH1A1MAPTRXFP1MAPK1
SCHEMBL2211500 0.66 NOX4 (0.49) NOX4ALDH1A1KDM4ETSHR
SCHEMBL17171582 0.64 NOX4 (0.48) NOX4MAPTKDM4ERECQLUSP2

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-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2015-04-15 — — EP disclosed
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