SCHEMBL9726384

SCHEMBL9726384

CCc1c(C(=O)O)c(C(F)(F)F)nc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.36
DHODH Q02127 1/20 0.35
KHK P50053 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SYK P43405 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
PDE2A O00408 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
MAPT P10636 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
SCHEMBL9726295 0.85 MAPK1 (0.31) KDM5BDHODH
SCHEMBL27674658 0.82 KDM4E (0.36) KDM5BDHODHKDM4EADORA3
SCHEMBL10566847 0.81 SYK (0.30) KDM5BSYK
SCHEMBL15566483 0.81 KDM4E (0.33) KDM5BKDM4E
SCHEMBL27692999 0.81
SCHEMBL8695146 0.80 DPP4 (0.35) DHODH
SCHEMBL9726385 0.80 NPSR1 (0.36) KDM5BKDM4EADORA3RXFP1NPSR1
SCHEMBL27674748 0.80 DPP4 (0.31)
SCHEMBL9726378 0.79 KDM4E (0.48) KDM4EADORA3NPSR1MAPT
SCHEMBL27674760 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
EP-0133612-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1991-02-27 EP disclosed
US-4978384-A HERBICIDES MONSANTO COMPANY (US) 1990-12-18 US disclosed
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed