SCHEMBL20246783

SCHEMBL20246783

C=C(NC1=CCCC=C1)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)OC3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
ATM Q13315 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
RXFP1 Q9HBX9 2/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 4/20 0.55
GLA P06280 1/20 0.55
GAA P10253 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL20246782 0.91 MEN1 (0.71) KDM4EATMTDP1MEN1KMT2A
SCHEMBL14955316 0.78 KDM4E (0.85) KDM4EATMTDP1MEN1KMT2A
SCHEMBL426279 0.78 KDM4E (1.00) KDM4EATMTDP1MEN1KMT2A
SCHEMBL425244 0.76 ALDH1A1 (0.91) KDM4EATMTDP1MEN1KMT2A
SCHEMBL17175747 0.76 MEN1 (0.86) KDM4EATMTDP1MEN1KMT2A
SCHEMBL429590 0.74 MEN1 (1.00) KDM4EATMTDP1MEN1KMT2A
SCHEMBL16451251 0.73 MEN1 (0.75) KDM4EATMTDP1MEN1KMT2A
SCHEMBL432090 0.72 MEN1 (0.77) KDM4EATMTDP1MEN1KMT2A
SCHEMBL429219 0.71 KDM4E (0.74) KDM4EATMTDP1MEN1KMT2A
SCHEMBL5013137 0.70 KDM4E (0.85) KDM4EATMTDP1MEN1KMT2A

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-2892525-B1 METHODS OF TREATING MUSCULAR DYSTROPHY UNIV NEVADA RENO (US) 2018-06-13 EP disclosed