SCHEMBL9166887

SCHEMBL9166887

Cc1cnc2c(-c3cccc(C(F)(F)F)c3)nn(-c3ccc(Cl)cc3)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CCR1 P32246 2/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL9169037 0.93 ALDH1A1 (0.58) NPSR1LMNAALDH1A1KDM4EMEN1
SCHEMBL9163642 0.91 NPSR1 (0.56) NPSR1LMNAALDH1A1KDM4EMEN1
SCHEMBL9168828 0.86 ABCB1 (0.47) NPSR1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL9168145 0.85 NPSR1 (0.61) NPSR1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9168944 0.82 ALDH1A1 (0.45) NPSR1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9563065 0.82 ALDH1A1 (0.45) NPSR1LMNAALDH1A1KDM4EMEN1
SCHEMBL9172377 0.82 NPSR1 (0.45) NPSR1LMNAALDH1A1KDM4EMEN1
SCHEMBL9231108 0.81 NPSR1 (0.82) NPSR1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9172634 0.81 NPSR1 (0.61) NPSR1LMNAALDH1A1KDM4EMEN1
SCHEMBL9175257 0.77 NPSR1 (0.52) NPSR1LMNAALDH1A1KDM4EMEN1

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