SCHEMBL31168640

SCHEMBL31168640

OCCCc1ncc(F)cc1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 1/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ MAPK14 Q16539 1/20 0.30
▸ SPR P35270 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
SCHEMBL31168519 0.78 S100A9 (0.38) CYP11B1CYP11B2KCNJ5KCNJ3
SCHEMBL31168516 0.78 S100A9 (0.38) CYP11B1CYP11B2KCNJ5KCNJ3
SCHEMBL31168484 0.78 GCK (0.36) KCNJ5KCNJ3
SCHEMBL4973249 0.75 AGBL2 (0.41) AGBL2
SCHEMBL31168603 0.70 AGBL2 (0.42) AGBL2CYP11B1CYP11B2CA2
SCHEMBL19304135 0.68 AGBL2 (0.39) AGBL2
SCHEMBL30286760 0.66 — —
SCHEMBL31168607 0.66 — —
SCHEMBL134813 0.66 AGBL2 (0.43) AGBL2
SCHEMBL29941432 0.66 AGBL2 (0.43) AGBL2

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
WO-2024216164-A1 N2-((5-HYDROXY)-2-PYRIDYL)-PYRIDINE-2,4-DIAMINE DERIVATIVES AS EHMT1/2 MODULATORS FOR THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2024-10-17 — — WO disclosed
Send feedback