SCHEMBL17319219

SCHEMBL17319219

CNC(=O)CC1SC(N2CCCC2)=NC1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 2/20 0.53
GAA P10253 2/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6501483 0.80 TSHR (0.55) ALDH1A1CYP2C19KMT2AMEN1RAB9A
SCHEMBL6509633 0.69 L3MBTL1 (0.53) ALDH1A1CYP2C19KMT2AMEN1RAB9A
SCHEMBL6427337 0.69 ALDH1A1 (0.50) ALDH1A1CYP2C19KMT2AMEN1RAB9A
SCHEMBL6430684 0.69 ALDH1A1 (0.50) ALDH1A1CYP2C19KMT2AMEN1RAB9A
SCHEMBL6506802 0.67 CYP2C19 (0.51) ALDH1A1CYP2C19KMT2AMEN1L3MBTL1
SCHEMBL6425973 0.66 KMT2A (0.48) ALDH1A1CYP2C19KMT2AMEN1RAB9A
SCHEMBL6426304 0.63 EPHX2 (0.34) ALDH1A1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL13105358 0.59 MAPT (0.47) ALDH1A1KMT2AMEN1POLBUSP2
SCHEMBL6502742 0.59 TSHR (0.49) ALDH1A1CYP2C19RAB9AL3MBTL1NPC1
SCHEMBL6425891 0.59 TSHR (0.49) ALDH1A1CYP2C19RAB9AL3MBTL1NPC1

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
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed