SCHEMBL9168944

SCHEMBL9168944

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TRPA1 O75762 1/20 0.40
MAT2A P31153 1/20 0.39
CYP1A2 P05177 10/20 0.38
CASP1 P29466 7/20 0.38
CASP7 P55210 7/20 0.38
HSD17B10 Q99714 7/20 0.38
CYP3A4 P08684 7/20 0.38
USP2 O75604 7/20 0.38
SYK P43405 1/20 0.38
CYP2D6 P10635 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 2/20 0.37
GLA P06280 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9172852 0.90 DGAT2 (0.44) ALDH1A1NPSR1LMNAKDM4ECYP1A2
SCHEMBL9169037 0.88 ALDH1A1 (0.58) ALDH1A1NPSR1LMNAKDM4ECYP1A2
SCHEMBL9170643 0.86 NPSR1 (0.50) ALDH1A1NPSR1LMNAKDM4ETRPA1
SCHEMBL9172377 0.83 NPSR1 (0.45) ALDH1A1NPSR1LMNAKDM4ESYK
SCHEMBL9563065 0.83 ALDH1A1 (0.45) ALDH1A1NPSR1LMNAKDM4ESYK
SCHEMBL9163642 0.83 NPSR1 (0.56) ALDH1A1NPSR1LMNAKDM4EMEN1
SCHEMBL9166887 0.82 NPSR1 (0.55) ALDH1A1NPSR1LMNAKDM4ECYP1A2
SCHEMBL9165448 0.76 ALDH1A1 (0.57) ALDH1A1NPSR1LMNAKDM4EMEN1
SCHEMBL9171888 0.75 SLC5A1 (0.41) ALDH1A1NPSR1LMNAKDM4EGRIN1
SCHEMBL9170308 0.75 DGAT2 (0.43) ALDH1A1NPSR1LMNAKDM4ECASP1

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