SCHEMBL7366633

SCHEMBL7366633

CC(C)n1nc(-c2ccc(C(=O)N(C)C)cc2)c2ncccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
KDM5B Q9UGL1 1/20 0.43
KAT2B Q92831 9/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA1 P30542 1/20 0.39
POLB P06746 1/20 0.39
TACR1 P25103 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
SCHEMBL7367492 0.91 NCOA1 (0.46) NCOA1NCOA3KDM5BKAT2BMEN1
SCHEMBL7369486 0.87 KAT2B (0.49) KAT2BKMT2AHPGDMAPTL3MBTL1
SCHEMBL7362432 0.86 MKNK1 (0.44) KAT2BKMT2AHPGDMAPTL3MBTL1
SCHEMBL7363887 0.84 KAT2B (0.52) KDM5BKAT2BHPGDALDH1A1MAPT
SCHEMBL7368776 0.82 NCOA1 (0.46) NCOA1NCOA3MEN1KMT2AHPGD
SCHEMBL7366676 0.82 NCOA1 (0.48) NCOA1NCOA3KAT2BMEN1KMT2A
SCHEMBL7370561 0.82 L3MBTL1 (0.47) KAT2BALDH1A1MAPTL3MBTL1ADORA1
SCHEMBL7369331 0.79 SRC (0.46) KDM5BKAT2BHPGDALDH1A1MAPT
SCHEMBL7365955 0.79 PDE4A (0.52) NCOA1NCOA3KAT2BMEN1KMT2A
SCHEMBL7360998 0.78 HPGD (0.52) KAT2BMEN1KMT2AHPGDHTT

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
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed