SCHEMBL23357

SCHEMBL23357

COc1cccc(NC(=O)Nc2nc3ccc(OC)cc3s2)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.84
NPC1 O15118 7/20 0.84
MEN1 O00255 7/20 0.84
KMT2A Q03164 7/20 0.84
MAPT P10636 6/20 0.84
SMN1; SMN2 Q16637 5/20 0.84
POLB P06746 2/20 0.84
LMNA P02545 1/20 0.84
NFKB1 P19838 1/20 0.84
NFKB2 Q00653 1/20 0.84
RELA Q04206 1/20 0.84
HDAC6 Q9UBN7 1/20 0.84
HSD17B10 Q99714 2/20 0.71
HTT P42858 4/20 0.70
ALDH1A1 P00352 3/20 0.70
GAA P10253 2/20 0.70
SCD O00767 4/20 0.69
KDM4E B2RXH2 2/20 0.69
MCL1 Q07820 1/20 0.69
DYRK1A Q13627 2/20 0.67

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
SCHEMBL11724051 0.94 RAB9A (0.74) RAB9ANPC1MEN1KMT2AMAPT
Frentizole SCHEMBL599582 0.92 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4909989 0.91 RAB9A (0.78) RAB9ANPC1MEN1KMT2AMAPT
Frentizole SCHEMBL11433152 0.91 RAB9A (0.98) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL21568128 0.88 RAB9A (0.73) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL21568852 0.88 RAB9A (0.67) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4924519 0.87 RAB9A (0.79) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL23715 0.86 NPC1 (0.70) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4917891 0.85 MEN1 (0.72) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4918017 0.85 RAB9A (0.79) RAB9ANPC1MEN1KMT2AMAPT

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