SCHEMBL7423671

SCHEMBL7423671

O=C(CC(C(=O)OCc1ccccc1)c1nc2ccccc2s1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.58
MAPK1 P28482 2/20 0.58
PKM P14618 1/20 0.47
CSNK1D P48730 2/20 0.46
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 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
SCHEMBL7476752 0.81 MAPK1 (0.54) L3MBTL1MAPK1PKMCSNK1DHTT
SCHEMBL7363701 0.75 HDAC3 (0.49) L3MBTL1MAPK1PKMCSNK1DHDAC3
SCHEMBL10730213 0.75 MAPK1 (0.51) L3MBTL1MAPK1PKMHPGDCYP1A2
SCHEMBL7423663 0.73 L3MBTL1 (0.65) L3MBTL1MAPK1CSNK1DHPGDCYP1A2
SCHEMBL2856934 0.73 HPGD (0.56) MAPK1PKMCSNK1DHPGDCYP1A2
SCHEMBL10764124 0.73 MAPK1 (0.52) L3MBTL1MAPK1HPGDCYP1A2CYP2C19
SCHEMBL10972900 0.72 MAPK1 (0.60) L3MBTL1MAPK1CSNK1DHPGDCYP1A2
SCHEMBL402775 0.72 HPGD (0.55) L3MBTL1MAPK1PKMCSNK1DHPGD
SCHEMBL10757211 0.72 MAPK1 (0.51) L3MBTL1MAPK1HPGDHSD17B10SMN1; SMN2
SCHEMBL10757208 0.72 MAPK1 (0.51) L3MBTL1MAPK1CSNK1DHPGDCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed