SCHEMBL7367933

SCHEMBL7367933

CCCn1nc(-c2ccc(C(=O)OC)cc2)c2cccnc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 3/20 0.46
KAT2B Q92831 1/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 3/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
F2RL3 Q96RI0 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42

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) ALDH1A1SMN1; SMN2HPGDTSHRKAT2B
SCHEMBL7364396 0.89 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDTSHRKAT2B
SCHEMBL7360999 0.88 HPGD (0.53) ALDH1A1SMN1; SMN2HPGDTSHRKAT2B
SCHEMBL7370206 0.87 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL7367645 0.85 F2RL3 (0.55) ALDH1A1SMN1; SMN2HPGDTSHRMEN1
SCHEMBL7369736 0.85 TSHR (0.45) ALDH1A1SMN1; SMN2HPGDTSHRMEN1
SCHEMBL7369005 0.85 PDE4A (0.51) ALDH1A1SMN1; SMN2HPGDTSHRKAT2B
SCHEMBL7370605 0.84 KDM4E (0.48) ALDH1A1SMN1; SMN2HPGDTSHRKAT2B
SCHEMBL7370600 0.83 MEN1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL7364707 0.83 HPGD (0.52) ALDH1A1SMN1; SMN2HPGDTSHRKAT2B

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