SCHEMBL31401682

SCHEMBL31401682

COC(=O)c1cc(Cc2ccnc(NCc3ccc(OC)cc3OC)c2F)c(F)c(F)c1Nc1cc(Cl)c(I)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.38
▸ CYP1A2 P05177 14/20 0.38
▸ CYP3A4 P08684 14/20 0.38
▸ CYP2C19 P33261 14/20 0.38
▸ CYP2D6 P10635 12/20 0.38
▸ TSHR P16473 11/20 0.38
▸ CLK4 Q9HAZ1 7/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ LMNA P02545 4/20 0.38
▸ GLA P06280 1/20 0.38
▸ HSD17B10 Q99714 6/20 0.36
▸ CYP2C9 P11712 4/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ USP2 O75604 6/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MAPK1 P28482 5/20 0.35
▸ ERBB2 P04626 1/20 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
SCHEMBL31401739 0.94 MAPT (0.41) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL31401761 0.94 MAPT (0.41) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL31401775 0.92 MAPT (0.42) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL38651248 0.90 MAPT (0.44) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL31401592 0.90 MAPT (0.44) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL23694115 0.89 MAP2K1 (0.43) MAPTKDM4CERBB2PRKACARPS6KB1
SCHEMBL30080297 0.89 MAP2K1 (0.43) MAPTKDM4CERBB2PRKACARPS6KB1
SCHEMBL31401828 0.87 MAPT (0.43) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL23694114 0.87 MAPT (0.43) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL31401683 0.83 MAPT (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4740942-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF HUAJIAN FUTURE (CHENGDU) TECHNOLOGY CO., LTD. (CN) 2026-05-13 — — EP disclosed
WO-2025007811-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF 成都华健未来科技有限公司 2025-01-09 — — WO disclosed
Send feedback