SCHEMBL9225993

SCHEMBL9225993

O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.82
KDM4E B2RXH2 3/20 0.82
GAA P10253 3/20 0.67
ALOX5 P09917 1/20 0.61
ALDH1A1 P00352 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 2/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
MAPT P10636 3/20 0.53
ENPP1 P22413 1/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9229487 0.93 NPSR1 (0.80) NPSR1KDM4EGAAALOX5ALDH1A1
SCHEMBL9279562 0.87 NPSR1 (0.72) NPSR1KDM4EGAAALOX5ALDH1A1
Water SCHEMBL22721771 0.85 NPSR1 (0.63) NPSR1KDM4EGAAALOX5ALDH1A1
SCHEMBL22721773 0.85 NPSR1 (0.63) NPSR1KDM4EGAAALOX5ALDH1A1
SCHEMBL9227503 0.85 NPSR1 (0.62) NPSR1KDM4EGAAALOX5ALDH1A1
SCHEMBL29539369 0.85 NPSR1 (0.62) NPSR1KDM4EGAAALOX5ALDH1A1
SCHEMBL22721689 0.84 NPSR1 (0.61) NPSR1KDM4EGAAALOX5ALDH1A1
SCHEMBL29539592 0.84 NPSR1 (0.61) NPSR1KDM4EGAAALOX5ALDH1A1
SCHEMBL9231347 0.83 NPSR1 (0.79) NPSR1KDM4EGAAALOX5ALDH1A1
SCHEMBL30719634 0.83 NPSR1 (0.79) NPSR1KDM4EGAAALOX5ALDH1A1

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-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP claimed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed