SCHEMBL30976018

SCHEMBL30976018

CCOC(=O)c1c(C(F)(F)F)c(C2CC2)nn1CC1(C)CC(F)(F)C12CC2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TSHR P16473 3/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLAT P00750 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL30976086 0.86
SCHEMBL27417593 0.86 KMT2A (0.33) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30976004 0.85 ALDH1A1 (0.33) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30976026 0.85
SCHEMBL30975872 0.85 KMT2A (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30976017 0.84 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975819 0.83 PLAT (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL27417567 0.82 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL30975972 0.82 ALDH1A1 (0.32) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL27417557 0.82 TSHR (0.33) 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