SCHEMBL7364707

SCHEMBL7364707

CCn1nc(-c2ccc(C(=O)OC)cc2)c2ncccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KAT2B Q92831 1/20 0.48
MAPK1 P28482 1/20 0.46
TBXAS1 P24557 1/20 0.45
TSHR P16473 2/20 0.44
PDE4A P27815 4/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
F2RL3 Q96RI0 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL7365662 0.91 HPGD (0.55) HPGDALDH1A1SMN1; SMN2KAT2BMAPK1
SCHEMBL7362649 0.88 PDE4A (0.50) HPGDALDH1A1KAT2BTBXAS1TSHR
SCHEMBL7365898 0.87 PDE4B (0.49) HPGDSMN1; SMN2KAT2BTBXAS1TSHR
SCHEMBL7367052 0.87 F2RL3 (0.53) HPGDALDH1A1SMN1; SMN2KAT2BMAPK1
SCHEMBL9377772 0.86 HPGD (0.50) HPGDALDH1A1SMN1; SMN2KAT2BMAPK1
SCHEMBL7363603 0.86 PDE4A (0.61) HPGDALDH1A1SMN1; SMN2KAT2BMAPK1
SCHEMBL7363949 0.86 TBXAS1 (0.46) HPGDSMN1; SMN2MAPK1TBXAS1TSHR
SCHEMBL7368776 0.84 NCOA1 (0.46) HPGDALDH1A1SMN1; SMN2TBXAS1PDE4A
SCHEMBL7365735 0.84 PDE4A (0.44) SMN1; SMN2TBXAS1TSHRPDE4APDE4B
SCHEMBL7365416 0.84 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2KAT2BTBXAS1

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