SCHEMBL9714993

SCHEMBL9714993

COC(=O)CC(Cl)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
TSHR P16473 1/20 0.46
KCNA5 P22460 1/20 0.44
ATM Q13315 3/20 0.44
HSP90AA1 P07900 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
AKT1 P31749 1/20 0.43
POLB P06746 4/20 0.41
MEN1 O00255 3/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
ESRRB O95718 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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 0.85 L3MBTL1 (0.44) KMT2AATMGAAMEN1LMNA
SCHEMBL9715018 0.85 TDP1 (0.47) KMT2AGAANPC1RAB9AMEN1
SCHEMBL8535929 0.81 KCNA5 (0.49) KMT2ATSHRKCNA5AKT1POLB
SCHEMBL22076551 0.81 KMT2A (0.49) KMT2ATSHRKCNA5AKT1POLB
SCHEMBL5548278 0.80 MDM2 (0.52) KMT2ATSHRATMHSP90AA1GAA
SCHEMBL4092391 0.79 KCNA5 (0.48) KMT2ATSHRKCNA5AKT1POLB
SCHEMBL8534214 0.78 TSHR (0.57) KMT2ATSHRATMHSP90AA1GAA
SCHEMBL6512379 0.78 KCNA5 (0.47) KMT2ATSHRKCNA5RAB9AAKT1
SCHEMBL1427972 0.78 MDM2 (0.47) KMT2ATSHRKCNA5AKT1POLB
SCHEMBL633350 0.76 PGR (0.52) KMT2AATMHSP90AA1GAANPC1

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