SCHEMBL9230980

SCHEMBL9230980

O=c1c2cc(Cl)c(Cl)cc2c(-c2ccc(F)cc2)nn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 4/20 0.48
MAPK1 P28482 3/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
NPBWR1 P48145 3/20 0.42
MCHR1 Q99705 2/20 0.42
MARS1 P56192 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.39
ABCB1 P08183 1/20 0.39
TRPV4 Q9HBA0 2/20 0.38

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
SCHEMBL9227950 0.92 NPSR1 (0.51) NPSR1KDM4EMAPTMAPK1RECQL
SCHEMBL9228112 0.89 NPSR1 (0.58) NPSR1KDM4EMAPTMAPK1GAA
SCHEMBL9279562 0.85 NPSR1 (0.72) NPSR1KDM4EMAPTMAPK1GAA
SCHEMBL9229776 0.85 NPSR1 (0.58) NPSR1KDM4EGAAALDH1A1CYP1A2
SCHEMBL25479257 0.83 NPSR1 (0.49) NPSR1KDM4EMAPTMAPK1RECQL
SCHEMBL9225263 0.79 NPSR1 (0.52) NPSR1KDM4EMAPTMAPK1GAA
SCHEMBL9229584 0.78 NPSR1 (0.48) NPSR1KDM4EGAAALDH1A1CYP1A2
SCHEMBL25174337 0.78 KDM4E (0.46) NPSR1KDM4EMAPTMAPK1L3MBTL1
SCHEMBL25479341 0.78 KDM4E (0.46) NPSR1KDM4EMAPTMAPK1GAA
SCHEMBL25479342 0.78 KDM4E (0.47) NPSR1KDM4EMAPTMAPK1L3MBTL1

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 3 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
WO-2023086799-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed