SCHEMBL7423663

SCHEMBL7423663

O=C(OCc1ccccc1)C(Cc1nc2ccccc2s1)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.65
MAPK1 P28482 2/20 0.65
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 4/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
CSNK1D P48730 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL7419779 0.83 MAPK1 (0.58) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL7419774 0.83 MAPK1 (0.58) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL7359506 0.81 MAPK1 (0.58) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL7359502 0.81 MAPK1 (0.58) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
Bromide SCHEMBL7418359 0.80 MAPK1 (0.57) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
Bromide SCHEMBL7418358 0.80 MAPK1 (0.57) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL7639974 0.79 MAPT (0.72) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL7428589 0.75 L3MBTL1 (0.60) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL20023020 0.75 L3MBTL1 (0.70) L3MBTL1MAPK1CYP1A2CYP2C19KMT2A
SCHEMBL1555297 0.75 ALDH1A1 (0.57) L3MBTL1MAPK1CYP1A2KMT2ALMNA

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