SCHEMBL24910207

SCHEMBL24910207

CC(C)c1ccncc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.40
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ P2RY2 P41231 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ P2RY14 Q15391 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ APP P05067 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL20865265 0.86 RPS6KA3 (0.36) RPS6KA3KCNK3KCNK9P2RY2P2RY1
SCHEMBL4734686 0.77 CA1 (0.42) RPS6KA3ALDH1A1SMN1; SMN2AAK1
SCHEMBL26375179 0.76 PDE10A (0.40) GPBAR1EGFRFGFR1KDRIDO1
SCHEMBL28857984 0.75 RPS6KA3 (0.40) RPS6KA3ALDH1A1LMNASMN1; SMN2
SCHEMBL21226299 0.75 KCNK3 (0.33) KCNK3KCNK9
SCHEMBL21725477 0.74 CA12 (0.47) RPS6KA3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL18068091 0.74 KCNK3 (0.35) KCNK3KCNK9APP
SCHEMBL807278 0.73 KCNK3 (0.52) KCNK3KCNK9P2RY2P2RY1P2RY14
SCHEMBL26840510 0.73 RPS6KA3 (0.37) RPS6KA3ALDH1A1LMNASMN1; SMN2
SCHEMBL4076045 0.72 PDE10A (0.40) GPBAR1EGFRFGFR1KDRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
WO-2023064345-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 — — EP disclosed
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