SCHEMBL31091868

SCHEMBL31091868

Cn1cnc(-c2ccc(F)c(F)c2C=O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM4C Q9H3R0 6/20 0.33
▸ HSD11B1 P28845 4/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ KDM5B Q9UGL1 2/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL31091927 0.83 PTGS1 (0.34) TGFBR1KDM4EKDM4CHSD11B1MAPK14
SCHEMBL31091928 0.77 KDM4E (0.33) TGFBR1KDM4EKDM4CMAPK14PTGS2
SCHEMBL31091918 0.74 KDM4E (0.42) KDM4EKDM4CMAPK14KDM5BKDM5A
SCHEMBL15331861 0.71 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL31091965 0.69 MEN1 (0.36) KDM4EHSD11B1MAPK14
SCHEMBL2561937 0.66 — —
SCHEMBL1359122 0.65 ALDH1A1 (0.50) PTGS2SMN1; SMN2
SCHEMBL31387760 0.65 ALDH1A1 (0.50) PTGS2SMN1; SMN2
SCHEMBL2555076 0.65 CYP1A2 (0.37) HSD11B1MAPK14SMN1; SMN2
SCHEMBL29952633 0.65 CYP1A2 (0.37) HSD11B1MAPK14SMN1; SMN2

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-2024220541-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 — — WO disclosed
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