SCHEMBL7433775

SCHEMBL7433775

O=C(CCc1ccccc1CS)Nc1cc(C(=O)O)ccc1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 5/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 1/20 0.44
KCNQ2 O43526 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7440894 0.99 KMT2A (0.48) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL7432207 0.90 ALDH1A1 (0.56) KMT2AALDH1A1GAAKDM4EL3MBTL1
SCHEMBL7432442 0.85 L3MBTL1 (0.44) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL7439374 0.84 KMT2A (0.44) KMT2AALDH1A1HPGDGAAL3MBTL1
SCHEMBL7432052 0.80 KDM4E (0.65) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL7438717 0.80 ALOX15 (0.50) GAAPOLBMAPK1
SCHEMBL7434272 0.79 SELL (0.60) KMT2AALDH1A1GAAL3MBTL1MEN1
SCHEMBL7433695 0.77 SELL (0.48) KMT2AALDH1A1GAAKDM4EPOLB
SCHEMBL7434116 0.76 LTB4R (0.67) KMT2AHPGDPOLBMEN1MAPT
SCHEMBL10669472 0.76 KCNQ2 (0.62) KMT2AALDH1A1HPGDGAAKDM4E

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-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed