SCHEMBL7370615

SCHEMBL7370615

Cc1c(C(=O)O)noc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.46
FEN1 P39748 2/20 0.46
ERCC4 Q92889 2/20 0.46
SMURF2 Q9HAU4 1/20 0.45
SMURF1 Q9HCE7 1/20 0.45
KDM4E B2RXH2 6/20 0.44
PTPN1 P18031 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MCL1 Q07820 1/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7367699 0.87 ERCC1 (0.43) ERCC1FEN1ERCC4KDM4EMEN1
SCHEMBL19668565 0.81 KDM4E (0.42) ERCC1FEN1ERCC4KDM4EPTPN1
SCHEMBL8135086 0.78 MCL1 (0.41) ERCC1FEN1ERCC4KDM4EPTPN1
SCHEMBL7369992 0.78 SMN1; SMN2 (0.42) KDM4EMEN1KMT2AMAPK1ALDH1A1
SCHEMBL30010967 0.77 EDNRA (0.47) KDM4EMEN1KMT2AMAPK1ALDH1A1
SCHEMBL27353038 0.76 MCL1 (0.42) ERCC1FEN1ERCC4KDM4EPTPN1
SCHEMBL4076415 0.76 PTPN1 (0.67) SMURF2SMURF1KDM4EPTPN1MEN1
SCHEMBL7367693 0.75 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1HTT
Ethyl Acetate SCHEMBL27347866 0.74 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL8119682 0.73 GRIA1 (0.53) KDM4EMEN1KMT2AMAPK1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1056837-C 5-arylisoxazol-4-yl-substituted 2-aminocarboxylic acid compounds LUNDBECK & CO AS H (DK) 2000-09-27 CN disclosed
EP-0994107-A1 5-Arylisoxazol-4-yl-substituted 2-amino carboxylic acid compounds H. LUNDBECK A/S (DK) 2000-04-19 EP disclosed
CN-1136810-A 5-arylisoxazol-4-yl-substituted 2-aminocarboxylic acid compounds LUNDBECK & CO AS H (DK) 1996-11-27 CN disclosed
EP-0726896-A1 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1996-08-21 EP disclosed
WO-1995012587-A1 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1995-05-11 WO disclosed