SCHEMBL31001

SCHEMBL31001

COc1ccc2nc(NC(=O)c3ccc(F)c(OC)c3)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.76
NPC1 O15118 5/20 0.76
RAB9A P51151 5/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
KDM4E B2RXH2 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
HTT P42858 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
DYRK1A Q13627 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
HSD17B10 Q99714 1/20 0.62
DCLK1 O15075 1/20 0.61
FES P07332 1/20 0.61

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
SCHEMBL29947537 0.89 KDM4E (0.61) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL24729548 0.89 KDM4E (0.61) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2480549 0.88 SCD (0.74) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL31151 0.88 SCD (0.77) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL12199354 0.86 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2480611 0.86 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL10064451 0.86 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2511571 0.86 SCD (0.72) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL31243 0.86 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2482848 0.85 SCD (0.70) SCDNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed