SCHEMBL27329409

SCHEMBL27329409

CC(C)c1nn2c(=O)[nH]c(SCC(F)F)nc2c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 10/20 0.35
▸ XDH P47989 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL27329419 0.91 HAVCR2 (0.38) XDHKDM4E
SCHEMBL27329043 0.87 HPGD (0.40) XDHKDM4E
SCHEMBL27329677 0.87 HAVCR2 (0.32) —
SCHEMBL27329309 0.87 GCGR (0.35) GCGRXDHKDM4ECREBBPCYP1A2
SCHEMBL27329811 0.86 GCGR (0.34) GCGRXDHKDM4ECREBBPCYP1A2
SCHEMBL30992716 0.79 XDH (0.40) GCGRXDHCYP1A2CYP2C19
SCHEMBL30992367 0.78 XDH (0.35) XDHKDM4ECREBBP
SCHEMBL27329423 0.78 LIPE (0.37) XDHKDM4EHTT
SCHEMBL27329413 0.76 HAVCR2 (0.37) XDHKDM4E
SCHEMBL30992431 0.75 HAVCR2 (0.41) XDHKDM4EHTT

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-2024129881-A1 COMPOUNDS, COMPOSITIONS, AND MEZHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN MISFOLDING WAVEBREAK THERAPEUTICS LIMITED (US) 2024-06-20 — — WO disclosed
Send feedback