SCHEMBL9715018

SCHEMBL9715018

COC(=O)CC(Cl)C(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 8/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL9714935 0.87 L3MBTL1 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1HPGD
SCHEMBL9714993 0.85 KMT2A (0.47) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28363369 0.81 KMT2A (0.47) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL12593806 0.80 TDP1 (0.47) TDP1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7457651 0.77 SMN1; SMN2 (0.47) TDP1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL16624908 0.73 KCNA5 (0.53) TDP1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7768899 0.72 PDPK1 (0.57) TDP1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL29174147 0.72 MAPT (0.46) TDP1L3MBTL1HPGDALDH1A1MAPT
SCHEMBL11471490 0.71 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1HPGDALDH1A1MAPT
SCHEMBL1201267 0.71 NPC1 (0.62) TDP1MEN1KMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992018484-A1 3-AMINO-5-ARYLPYRAZOLE-4-ACETIC ACID DERIVATIVES EXHIBITING THERAPEUTIC EFFECTS A.H. ROBINS COMPANY, INCORPORATED (US) 1992-10-29 WO disclosed
US-5114944-A Anxiolytic and anticonvulsant agents; muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1992-05-19 US disclosed
US-5057534-A Anxiolytic, anticonfulsant and muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed