SCHEMBL30976004

SCHEMBL30976004

CCOC(=O)c1c(C(F)(F)F)c(C2CC2)nn1CC12CC(F)(C1)C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLAT P00750 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
DHODH Q02127 2/20 0.30
ADORA2B P29275 1/20 0.30
ATM Q13315 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
SCHEMBL30976017 0.94 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975972 0.92 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL27417593 0.87 KMT2A (0.33) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL27417567 0.85 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30976018 0.85 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975872 0.85 KMT2A (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975819 0.85 PLAT (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30958818 0.84 ALDH1A1 (0.34) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975824 0.84
SCHEMBL30975971 0.84 PLAT (0.32) ALDH1A1TSHRGAAHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634159-A1 SULFOXIMINES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-10-22 EP disclosed
WO-2024126648-A1 SULFOXIMINES AS INHIBITORS OF NaV1.8 Grünenthal GmbH (DE) 2024-06-20 WO disclosed