SCHEMBL30440468

SCHEMBL30440468

O=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.50
KMT2A Q03164 1/20 0.49
P4HTM Q9NXG6 2/20 0.48
TRPC6 Q9Y210 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ASPH Q12797 1/20 0.44
RIOX2 Q8IUF8 1/20 0.44
KDM8 Q8N371 1/20 0.44
MAPK14 Q16539 1/20 0.44
LMNA P02545 1/20 0.44
P4HA1 P13674 1/20 0.43
MIF P14174 1/20 0.43

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
SCHEMBL11410233 1.00 LIPE (0.50) LIPEKMT2AP4HTMTRPC6RAB9A
SCHEMBL11412080 0.84 CDK8 (0.55)
SCHEMBL753336 0.82 P4HTM (0.53) P4HTMKDM4EP4HA1MIF
SCHEMBL5755276 0.82 P4HTM (0.63) P4HTMKDM4ELMNAP4HA1MIF
SCHEMBL211804 0.81 KMT2A (0.70) KMT2AP4HTMRAB9AKDM4EASPH
SCHEMBL31532327 0.81 KMT2A (0.70) KMT2AP4HTMRAB9AKDM4EASPH
SCHEMBL3992720 0.80 SCN9A (0.47) KDM4EASPHRIOX2KDM8
SCHEMBL17157312 0.80 LIPE (0.45) LIPEKMT2ATRPC6RAB9AMAPK14
Hydrochloric Acid SCHEMBL9779782 0.80 KMT2A (0.68) KMT2AP4HTMRAB9AKDM4EASPH
SCHEMBL11411697 0.79 P4HTM (0.58) P4HTMKDM4EASPHRIOX2KDM8

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
CN-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed