SCHEMBL30958823

SCHEMBL30958823

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.30
PKM P14618 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
SCHEMBL30975988 0.86 KHK (0.30)
SCHEMBL24758326 0.82 KMT2A (0.34) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL24906254 0.82 KDM4E (0.33) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL24906208 0.79 KDM4E (0.32) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL30141513 0.79 KDM4E (0.32) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL30976103 0.79 KDM4E (0.33) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL30141514 0.78 KDM4E (0.31) ALDH1A1KDM4EHPGD
SCHEMBL30141538 0.77 KDM4E (0.32) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL30975972 0.76 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDTP53KMT2A
SCHEMBL27417561 0.75 KDM4E (0.33) ALDH1A1KDM4EHPGDMAPTTP53

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
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
EP-4385979-A1 MULTICYCLIC INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP disclosed