SCHEMBL8523635

SCHEMBL8523635

CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C(=O)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.61
POLB P06746 4/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
KDM4E B2RXH2 2/20 0.61
CASP6 P55212 2/20 0.61
CTDSP1 Q9GZU7 2/20 0.61
CTSB P07858 2/20 0.60
KLKB1 P03952 1/20 0.60
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
APEX1 P27695 2/20 0.53
RECQL P46063 2/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.48
EP300 Q09472 2/20 0.48
XPA P23025 7/20 0.46
NSD2 O96028 1/20 0.45
PKM P14618 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
SCHEMBL7985141 0.89 MYC (0.54) TDP1POLBL3MBTL1KDM4ECASP6
SCHEMBL19652479 0.73 MEN1 (0.88) TDP1POLBL3MBTL1KDM4EMEN1
SCHEMBL419818 0.72 KLKB1 (0.60) TDP1POLBKDM4ECTSBKLKB1
SCHEMBL447831 0.72 KLKB1 (0.60) TDP1POLBKDM4ECTSBKLKB1
SCHEMBL447832 0.72 KLKB1 (0.60) TDP1POLBKDM4ECTSBKLKB1
SCHEMBL13430836 0.70 TDP1 (1.00) TDP1POLBL3MBTL1KDM4ECASP6
SCHEMBL7985913 0.70 KAT8 (0.55) POLBL3MBTL1KDM4EMEN1KMT2A
SCHEMBL6731500 0.70 AMY1A (0.55) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL1787468 0.68 L3MBTL1 (1.00) TDP1POLBL3MBTL1KDM4ECASP6
SCHEMBL2757862 0.67 KMT2A (0.65) TDP1POLBL3MBTL1KDM4ECASP6

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
US-5935957-A PYRIDAZINE DERIVATIVES VIROPHARMA INCORPORATED (US) 1999-08-10 US disclosed
US-5821243-A 3,4,5-TRIOXO-2H,3H,4H,5H-PYRIDAZINES; TRANSCRIPTASE INHIBITORS; NONTOXIC VIROPHARMA INCORPORATED (US) 1998-10-13 US disclosed