SCHEMBL9616213

SCHEMBL9616213

CCCOc1cc(-c2ccc(NC#N)nn2)ccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.41
PDE4D Q08499 7/20 0.38
PDE4B Q07343 4/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL9183665 0.91 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9179776 0.88 PDE4D (0.38) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9616208 0.88 MAPT (0.44) FPR2TSHRSMN1; SMN2USP2MAPT
SCHEMBL9185420 0.87 PDE4D (0.38) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9180422 0.86 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9185156 0.85 MAPT (0.44) FPR2TSHRLMNATP53HPGD
SCHEMBL9187653 0.85 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9187632 0.84 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9186414 0.84 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9186204 0.83 PDE4D (0.54) PDE4DPDE4BPDE4APDE4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469013-A1 NOVEL ARYLPYRIDAZINES, THEIR MANUFACTURE, USE AND MEDICAMENTS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1992-02-05 EP disclosed