SCHEMBL9040591

SCHEMBL9040591

COC(=O)C(C)Sc1cc(NC(C)=O)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PYGL P06737 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
RORC P51449 2/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4682474 0.86 ALDH1A1 (0.36) ALDH1A1CA1CA2CA9LMNA
SCHEMBL29278995 0.80 HDAC1 (0.38) DHODHALDH1A1HDAC1HDAC6PYGL
SCHEMBL8599215 0.80 ALDH1A1 (0.38) ALDH1A1CA1CA2CA9LMNA
SCHEMBL8971949 0.79 HDAC1 (0.43) DHODHALDH1A1HDAC1HDAC6PYGL
SCHEMBL7688452 0.78 ALDH1A1 (0.34) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL26734753 0.77 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL26734757 0.77 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL26631881 0.77 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL8877674 0.76 PTGS2 (0.46) DHODHALDH1A1HDAC1HDAC6PYGL
SCHEMBL10619137 0.76 L3MBTL1 (0.34) ALDH1A1LMNASMN1; SMN2RAB9AMEN1

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
JP-8259523-A None JP disclosed
JP-H08259523-A PRODUCTION OF ANILIDE DERIVATIVE CENTRAL GLASS CO LTD 1996-10-08 JP disclosed