SCHEMBL4677876

SCHEMBL4677876

Cc1c(C(F)(F)F)cnn(-c2cc(SC(C)C(=O)O)c(Cl)cc2F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
DHODH Q02127 2/20 0.31
COMT P21964 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL4679271 0.91 CYP1A2 (0.34) CCR1NTRK1KDM4ELMNADHODH
SCHEMBL4677884 0.90 PPOX (0.41) KDM4ELMNAMEN1ALDH1A1POLB
SCHEMBL8903541 0.89 CCR1 (0.33) CCR1NTRK1KDM4EDHODHALDH1A1
SCHEMBL4682095 0.82 PKM (0.34) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL4682523 0.81 PPOX (0.41) KDM4EDHODHMEN1ALDH1A1PPARG
SCHEMBL4685638 0.81 MPL (0.34) CCR1NTRK1DHODH
SCHEMBL31448215 0.81 NOTUM (0.37) CCR1NTRK1LMNACOMTMEN1
SCHEMBL4681846 0.81 NOTUM (0.37) CCR1NTRK1LMNACOMTMEN1
SCHEMBL27413652 0.80 DHODH (0.35) CCR1DHODHCOMT
SCHEMBL4677674 0.80 PPOX (0.37) DHODHMEN1KMT2A

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-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP claimed