SCHEMBL7439374

SCHEMBL7439374

CC(=O)SCc1ccccc1CCC(=O)Nc1cc(C(=O)O)ccc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 4/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNQ2 O43526 2/20 0.41
PKM P14618 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL7432442 0.99 L3MBTL1 (0.44) KMT2AALDH1A1HPGDGAAPOLB
SCHEMBL7427426 0.86 LTB4R (0.39) KMT2AMEN1MAPT
SCHEMBL7440894 0.85 KMT2A (0.48) KMT2AALDH1A1HPGDGAAPOLB
SCHEMBL7433775 0.84 KMT2A (0.47) KMT2AALDH1A1HPGDGAAPOLB
SCHEMBL7431831 0.83 KDM4E (0.60) KMT2AALDH1A1HPGDGAAPOLB
SCHEMBL7442252 0.83 SELP (0.47) KMT2AGAALMNAMEN1MAPK1
SCHEMBL7430649 0.83 SELL (0.56) KMT2AALDH1A1GAAL3MBTL1LMNA
SCHEMBL7430609 0.82 NPC1 (0.46) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL7429346 0.81 SELL (0.45) KMT2AALDH1A1GAAPOLBL3MBTL1
SCHEMBL7433940 0.80 LTB4R (0.62) KMT2AHPGDPOLBMEN1MAPT

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