SCHEMBL9169239

SCHEMBL9169239

O=c1[nH]nc(-c2cccc(C(F)(F)F)c2)c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
TDO2 P48775 1/20 0.46
NOTUM Q6P988 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
PDPK1 O15530 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GRM4 Q14833 1/20 0.44
PARP1 P09874 3/20 0.43
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42
MAOB P27338 1/20 0.41
KIF11 P52732 1/20 0.41
LRRK2 Q5S007 1/20 0.41
KCNA5 P22460 3/20 0.41

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
SCHEMBL9165014 0.82 PIM1 (0.49) PIM1TDO2NOTUMSMN1; SMN2MAPT
SCHEMBL7366347 0.81 PARP1 (0.46) TDO2SMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL1249841 0.81 AURKA (0.54) PIM1MAPTPDPK1NPSR1ALDH1A1
SCHEMBL7370628 0.81 PDE4A (0.52) TDO2NOTUMSMN1; SMN2MAPTNPSR1
SCHEMBL1251253 0.80 NPSR1 (0.67) PIM1SMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL28636871 0.79 PIM1 (0.50) PIM1TDO2NOTUMSMN1; SMN2MAPT
SCHEMBL7370355 0.78 PDE4A (0.48) NOTUMALDH1A1LMNAGRM4KDM4E
SCHEMBL1252689 0.78 PARP1 (0.43) MAPTNPSR1ALDH1A1LMNAPARP1
SCHEMBL10429345 0.77 TDO2 (0.51) PIM1TDO2NOTUMNPSR1ALDH1A1
SCHEMBL7362871 0.77 PDE4D (0.57) MAPTLMNA

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-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP claimed
US-5405826-A Herbicidal pyridopyridazinones and pyridopyridazinethiones RHONE POULENC AGRICULTURE LIMITED (GB) 1995-04-11 US disclosed
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP disclosed