SCHEMBL7363887

SCHEMBL7363887

COC(=O)c1ccc(-c2nn(C(C)C)c(=O)c3cccnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM5B Q9UGL1 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDR P35968 2/20 0.40
NPC1 O15118 1/20 0.39
ADORA1 P30542 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
SCHEMBL7367931 0.91 HPGD (0.55) KAT2BHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7371143 0.88 KDM4E (0.53) KAT2BHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7369486 0.87 KAT2B (0.49) KAT2BHPGDKDM4EPOLBMAPK1
SCHEMBL7362432 0.86 MKNK1 (0.44) KAT2BHPGDKDM4EPOLBMAPK1
SCHEMBL7366633 0.84 NCOA1 (0.46) KAT2BHPGDALDH1A1POLBKDM5B
SCHEMBL7369403 0.84 KDM4E (0.44) KAT2BHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7369331 0.84 SRC (0.46) KAT2BHPGDALDH1A1KDM4EKDM5B
SCHEMBL7364707 0.82 HPGD (0.52) KAT2BHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7370561 0.82 L3MBTL1 (0.47) KAT2BALDH1A1POLBMAPTL3MBTL1
SCHEMBL7363944 0.81 ALDH1A1 (0.54) KAT2BHPGDALDH1A1SMN1; SMN2KDM4E

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