SCHEMBL28036634

SCHEMBL28036634

O=C(O)CC(=O)Nc1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KDM1A O60341 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MME P08473 2/20 0.36
EPHX2 P34913 2/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL3984134 0.86 L3MBTL1 (0.53) POLBL3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL9095004 0.84 KMT2A (0.52) POLBL3MBTL1MAPTKMT2ANPC1
SCHEMBL11705096 0.83 SCN1A (0.33) POLBL3MBTL1SCN1ASCN2ASCN3A
SCHEMBL3761921 0.82 EPHX2 (0.58) L3MBTL1EPHX2MAPTGAAHDAC8
SCHEMBL891250 0.81 CA1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7528436 0.81 TDP1 (0.37) L3MBTL1SCN1ASCN2ASCN3AEPHX2
SCHEMBL7653975 0.81 ALB (0.33) L3MBTL1SCN1ASCN2ASCN3AEPHX2
SCHEMBL7648764 0.81 JAK3 (0.37) KDM1ASCN1ASCN2ASCN3AEPHX2
SCHEMBL2658831 0.81 ALDH1A1 (0.47) POLBMAPTKMT2ANPC1RAB9A
SCHEMBL1133942 0.81 MAPT (0.47) POLBL3MBTL1MAPTGAAKMT2A

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
CN-105142634-A Oxindole carboxylic acid-based inhibitors of oncogenic protein tyrosine phosphatase-2 (SHP2) comprising Src homology-2 domain UNIV INDIANA RES & TECH CORP 2015-12-09 CN disclosed