SCHEMBL7428589

SCHEMBL7428589

N[C@@](Cc1nc2ccccc2s1)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.60
MAPK1 P28482 2/20 0.60
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
SLC13A5 Q86YT5 1/20 0.46
ALOX15 P16050 1/20 0.45
CSNK1D P48730 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7424300 0.80 L3MBTL1 (0.46) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL9073323 0.79 SMN1; SMN2 (0.68) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL8706009 0.79 SMN1; SMN2 (0.68) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL5972169 0.79 SMN1; SMN2 (0.68) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL7423663 0.75 L3MBTL1 (0.65) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL7639974 0.75 MAPT (0.72) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL27942934 0.74 SMN1; SMN2 (0.60) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL10968346 0.74 SMN1; SMN2 (0.50) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL7653623 0.73 SMN1; SMN2 (0.53) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL383648 0.73 SMN1; SMN2 (0.53) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A

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