SCHEMBL31191107

SCHEMBL31191107

O=C(c1ccnc(OCC(F)(F)F)c1)C(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ JMJD6 Q6NYC1 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP2J2 P51589 1/20 0.36
▸ GABRA5 P31644 1/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13890805 0.87 EPHX2 (0.52) EPHX2L3MBTL1JMJD6MAPTGSK3B
SCHEMBL796410 0.83 L3MBTL1 (0.60) EPHX2L3MBTL1JMJD6MAPTPOLB
SCHEMBL2713663 0.82 EPHX2 (0.52) EPHX2L3MBTL1JMJD6MAPTGSK3B
SCHEMBL30281370 0.82 EPHX2 (0.52) EPHX2L3MBTL1JMJD6MAPTGSK3B
SCHEMBL30403546 0.82 EPHX2 (0.52) EPHX2L3MBTL1JMJD6MAPTGSK3B
SCHEMBL27913659 0.79 EPHX2 (0.50) EPHX2L3MBTL1JMJD6MAPTGSK3B
SCHEMBL13875980 0.79 EPHX2 (0.50) EPHX2L3MBTL1JMJD6MAPTGSK3B
SCHEMBL31191259 0.79 ALDH1A1 (0.41) EPHX2L3MBTL1JMJD6ACHEMAPT
Nitrous Acid SCHEMBL28864182 0.78 L3MBTL1 (0.55) EPHX2L3MBTL1JMJD6MAPTPOLB
SCHEMBL28864180 0.77 EPHX2 (0.48) EPHX2L3MBTL1JMJD6MAPTGSK3B

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-4702025-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-03-04 — — EP disclosed
WO-2024223715-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-10-31 — — WO disclosed
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