SCHEMBL14922115

SCHEMBL14922115

CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
NPSR1 Q6W5P4 2/20 0.72
MEN1 O00255 11/20 0.65
KMT2A Q03164 11/20 0.65
PSMD14 O00487 1/20 0.64
DNMT1 P26358 1/20 0.64
POLB P06746 3/20 0.62
PTPN22 Q9Y2R2 3/20 0.62
PTPN7 P35236 2/20 0.61
DUSP3 P51452 2/20 0.61
DUSP6 Q16828 1/20 0.61
BLM P54132 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
USP2 O75604 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
ALOX12 P18054 1/20 0.60

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
SCHEMBL12325907 0.94 ALDH1A1 (0.74) ALDH1A1NPSR1MEN1KMT2APSMD14
SCHEMBL13856604 0.93 ALDH1A1 (0.71) ALDH1A1NPSR1MEN1KMT2APSMD14
SCHEMBL14104258 0.93 ALDH1A1 (0.73) ALDH1A1NPSR1MEN1KMT2APSMD14
SCHEMBL13856585 0.91 PTPN7 (0.71) ALDH1A1NPSR1MEN1KMT2APOLB
SCHEMBL4670262 0.88 ALDH1A1 (0.84) ALDH1A1NPSR1MEN1KMT2APSMD14
SCHEMBL4670263 0.88 ALDH1A1 (0.84) ALDH1A1NPSR1MEN1KMT2APSMD14
SCHEMBL14104272 0.87 ALDH1A1 (0.80) ALDH1A1NPSR1MEN1KMT2APSMD14
SCHEMBL13856568 0.87 ALDH1A1 (0.68) ALDH1A1NPSR1MEN1KMT2APSMD14
SCHEMBL13856539 0.87 PTPN22 (0.70) ALDH1A1NPSR1MEN1KMT2APSMD14
SCHEMBL13856639 0.86 MEN1 (0.79) ALDH1A1NPSR1MEN1KMT2APSMD14

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
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed