SCHEMBL6704313

SCHEMBL6704313

CC1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=S)N1c1ccc(N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
MAPT P10636 8/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
BLM P54132 1/20 0.46
IDE P14735 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL6702824 0.84 KIF11 (0.53) AKR1C3MAPTKMT2ATDP1KDM4E
SCHEMBL6704097 0.84 KIF11 (0.53) AKR1C3MAPTKMT2ATDP1KDM4E
SCHEMBL6703729 0.83 PARP1 (0.42) MAPTKMT2ATDP1KDM4EGAA
SCHEMBL6702073 0.83 RAD51 (0.49) AKR1C3MAPTKMT2AKDM4EGAA
SCHEMBL6699022 0.83 KIF11 (0.54) MAPTKMT2ATDP1KDM4EGAA
SCHEMBL6703556 0.83 MAPT (0.46) AKR1C3MAPTKMT2ATDP1KDM4E
SCHEMBL6705448 0.81 ALDH1A1 (0.42) MAPTKMT2ATDP1KDM4EGAA
SCHEMBL6703990 0.81 ALDH1A1 (0.51) AKR1C3MAPTKMT2AKDM4EGAA
SCHEMBL6699680 0.79 ALDH1A1 (0.54) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL6704507 0.79 ALDH1A1 (0.46) MAPTKMT2AKDM4EGAAALDH1A1

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-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed