SCHEMBL7754767

SCHEMBL7754767

C#CCOc1cc(NN)c(F)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.33
PGK1 P00558 1/20 0.32
MAOB P27338 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
NOS2 P35228 1/20 0.31
HPGD P15428 2/20 0.30
TRPV4 Q9HBA0 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL16774518 0.84 MAOB (0.36) PGK1MAOBCYP2D6SLC6A2SLC6A4
SCHEMBL6729897 0.83 TRPV4 (0.36) PGK1MAOBCYP2D6SLC6A2SLC6A4
SCHEMBL6736259 0.79 PGK1 (0.44) SRCPGK1MAOBSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6831304 0.78 PGK1 (0.43) SRCPGK1MAOBSLC6A2SLC6A4
SCHEMBL6505718 0.77 ALDH1A1 (0.45) SRCEGFRERBB2
SCHEMBL6497939 0.74 CYP11B1 (0.39) CYP2D6SLC6A2SLC6A4NOS2EGFR
SCHEMBL3628472 0.72 TRPV4 (0.50) TRPV4
SCHEMBL2081398 0.69 TRPV4 (0.45) HPGDTRPV4LMNA
SCHEMBL14030008 0.68 TRPV4 (0.37) TRPV4TSHR
SCHEMBL28398213 0.68 MEN1 (0.40) MAOBHPGDTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed