SCHEMBL31236928

SCHEMBL31236928

COC(=O)c1cc(Cc2ccnc(NCc3ccc(OC)cc3OC)c2F)ncc1Nc1ccc([Si](C)(C)C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ KDM4C Q9H3R0 1/20 0.40
▸ CYP1A2 P05177 12/20 0.36
▸ CYP3A4 P08684 12/20 0.36
▸ CYP2C19 P33261 12/20 0.36
▸ CYP2D6 P10635 11/20 0.36
▸ CLK4 Q9HAZ1 5/20 0.36
▸ CYP2C9 P11712 4/20 0.36
▸ TSHR P16473 9/20 0.36
▸ USP2 O75604 8/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ HSD17B10 Q99714 6/20 0.36
▸ MAPK1 P28482 6/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35

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
SCHEMBL24849056 1.00 MAPT (0.42) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL27224637 0.94 KDM4C (0.46) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL24849057 0.89 MAPT (0.41) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL28821048 0.83 GAA (0.34) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27224726 0.83 KDM4C (0.41) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL24849643 0.80 NUDT1 (0.33) —
SCHEMBL30135702 0.80 CYP1A2 (0.39) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL31401592 0.80 MAPT (0.44) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL38651248 0.80 MAPT (0.44) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL31401688 0.78 CYP1A2 (0.44) MAPTKDM4CCYP1A2CYP3A4CYP2C19

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-4725941-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-04-15 — — EP disclosed
CN-115803024-B Compositions comprising aryl amide derivatives 中外制药株式会社 2025-01-10 — — CN disclosed
CN-114929669-B Aryl amide derivatives with antitumor activity 中外制药株式会社 2024-11-29 — — CN disclosed
Send feedback