SCHEMBL9526075

SCHEMBL9526075

CCCc1cc(-c2ccc(C#N)c(OC)n2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
KDM4E B2RXH2 10/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
L3MBTL1 Q9Y468 3/20 0.38
BRD4 O60885 1/20 0.36
HPGD P15428 8/20 0.35
MAPT P10636 7/20 0.35
GRM6 O15303 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
THRB P10828 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCHEMBL9528730 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9525349 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9524583 0.75 KDM4E (0.55) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9525827 0.67 KDM4E (0.48) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9525815 0.67 KDM4E (0.48) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9524667 0.67 KDM4E (0.57) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9524661 0.67 KDM4E (0.57) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL27784404 0.67 BRD4 (0.37) ALDH1A1BRD4HPGDMAPTTDP1
SCHEMBL9526250 0.65 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9526260 0.65 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed