SCHEMBL1034145

SCHEMBL1034145

COc1ccc(-c2oc3ccc(NCC=N)cc3c(=O)c2OCc2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PABPC1 P11940 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
ABCG2 Q9UNQ0 9/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1030897 0.89 KDM4E (0.51) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL926805 0.85 KMT2A (0.45) PPARGMEN1KMT2APABPC1MAPT
SCHEMBL927299 0.82 PPARG (0.48) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL926583 0.81 KMT2A (0.45) PPARGMEN1KMT2APABPC1MAPT
SCHEMBL926584 0.78 PPARG (0.41) PPARGMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL928010 0.74 PPARG (0.40) PPARGMAPTALDH1A1HPGDABCG2
SCHEMBL928086 0.74 KDM4E (0.54) PPARGMAPTALDH1A1HPGDABCG2
SCHEMBL926613 0.73 KDM4E (0.57) PPARGMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL936732 0.72 ALDH1A1 (0.52) PPARGMAPTALDH1A1HPGDABCG2
SCHEMBL29167451 0.71 KDM4E (0.76) PPARGMEN1KMT2AMAPTALDH1A1

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-2268628-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN Rottapharm S.p.A. (IT) 2011-01-05 EP disclosed
WO-2009109230-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2009-09-11 WO disclosed