SCHEMBL24426884

SCHEMBL24426884

C=C(C(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc2c1CCCC2)c1ccc(C)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.63
POLB P06746 5/20 0.63
CHD1L Q86WJ1 1/20 0.63
PARP9 Q8IXQ6 1/20 0.63
CASP6 P55212 1/20 0.63
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
FABP4 P15090 2/20 0.52
FABP5 Q01469 2/20 0.52
FLT3 P36888 1/20 0.50
RAB9A P51151 1/20 0.48
MAPT P10636 5/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 3/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL21571475 0.83 POLB (0.67) TDP1POLBCHD1LPARP9CASP6
SCHEMBL20353975 0.81 POLB (0.78) TDP1POLBCHD1LPARP9CASP6
SCHEMBL24426885 0.80 POLB (0.56) TDP1POLBCHD1LPARP9CASP6
SCHEMBL681883 0.78 POLB (1.00) TDP1POLBCHD1LPARP9CASP6
SCHEMBL20339087 0.77 MAPT (0.68) TDP1POLBCHD1LPARP9CASP6
SCHEMBL21571479 0.73 POLB (0.64) TDP1POLBCHD1LPARP9CASP6
SCHEMBL20339085 0.71 TP53 (0.66) POLBMEN1KMT2AALDH1A1FABP4
SCHEMBL918590 0.69 MEN1 (0.79) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL15281318 0.69 ALDH1A1 (0.93) TDP1POLBCHD1LPARP9CASP6
SCHEMBL16817311 0.69 FABP4 (1.00) FABP4FABP5

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
EP-3562818-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS ENYO PHARMA (FR) 2022-05-18 EP disclosed