SCHEMBL7369732

SCHEMBL7369732

COC(=O)c1cc(-c2nn(C(C)C)c(=O)c3ncccc23)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
POLB P06746 3/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KAT2B Q92831 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
PSMD14 O00487 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL7369403 0.92 KDM4E (0.44) KDM4EPOLBTSHRHSD17B10KAT2B
SCHEMBL7367931 0.84 HPGD (0.55) KDM4EPOLBTSHRHSD17B10KAT2B
SCHEMBL7363886 0.84 KDM4E (0.44) KDM4EPOLBTSHRSMN1; SMN2HPGD
SCHEMBL7364392 0.84 KDM4E (0.51) KDM4EPOLBTSHRHSD17B10KAT2B
SCHEMBL7363039 0.83 PDE4A (0.47) KDM4EPOLBHSD17B10SMN1; SMN2HPGD
SCHEMBL7369736 0.82 TSHR (0.45) KDM4EPOLBTSHRSMN1; SMN2HPGD
SCHEMBL7359750 0.81 PDE4A (0.50) KDM4ETSHRALDH1A1L3MBTL1CYP3A4
SCHEMBL7366365 0.80 PDE4A (0.52) KDM4EPOLBTSHRALDH1A1USP2
SCHEMBL7369500 0.78 MAPK1 (0.48) KDM4EPOLBTSHRSMN1; SMN2HPGD
SCHEMBL7370597 0.78 L3MBTL1 (0.50) KAT2BSMN1; SMN2ALDH1A1L3MBTL1CYP2C9

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