SCHEMBL7370353

SCHEMBL7370353

COc1cccc(-c2nnc(=O)c3ccc[nH]c2-3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.43
DHODH Q02127 2/20 0.43
GAA P10253 2/20 0.42
NOTUM Q6P988 1/20 0.41
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
PKM P14618 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SERPINE1 P05121 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
SCHEMBL7368926 0.85 CDK4 (0.47) MAOBADORA1ALDH1A1LMNAPDGFRB
SCHEMBL7365581 0.81 CDK8 (0.48) ALDH1A1HPGDDHODHKDM5B
SCHEMBL7370627 0.81 MAOB (0.51) MAOBADORA2AADORA1ALDH1A1HPGD
SCHEMBL7366344 0.80 MAOB (0.50) MAOBALDH1A1LMNAHPGDKMT2A
SCHEMBL7362866 0.76 MEN1 (0.44) ALDH1A1KMT2AGAAPKMMEN1
SCHEMBL7369411 0.75 RAB9A (0.42) ALDH1A1HPGDKMT2APKMMEN1
SCHEMBL7364007 0.73 IDO1 (0.48) ALDH1A1LMNAHPGDDHODHKDR
SCHEMBL7368565 0.73 ALDH1A1 (0.50) MAOBALDH1A1LMNAHPGDKMT2A
SCHEMBL7364174 0.71 KDR (0.46) ADORA2AADORA1ALDH1A1LMNAKMT2A
SCHEMBL7443518 0.71 GAA (0.56) ALDH1A1LMNAGAANOTUMHDAC4

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