SCHEMBL31077730

SCHEMBL31077730

CCCN(C)C(=O)C(=O)c1c[nH]c2cc(C)c(OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 2/20 0.36
▸ GABRG2 P18507 2/20 0.36

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
SCHEMBL25747909 1.00 MAPK14 (0.39) MAPK14KDM4EMAPK1ALDH1A1MAPT
SCHEMBL25424702 0.91 ALDH1A1 (0.40) MAPK14KDM4EMAPK1ALDH1A1MAPT
SCHEMBL31077720 0.89 KDM4E (0.39) MAPK14KDM4EMAPK1ALDH1A1MEN1
SCHEMBL25747942 0.89 KDM4E (0.39) MAPK14KDM4EMAPK1ALDH1A1MEN1
SCHEMBL25747933 0.87 ALDH1A1 (0.38) MAPK14KDM4EMAPK1ALDH1A1MAPT
SCHEMBL25747875 0.85 MAPK14 (0.47) MAPK14KDM4EMAPK1MAPTGABRP
SCHEMBL31077755 0.85 MAPK14 (0.47) MAPK14KDM4EMAPK1MAPTGABRP
SCHEMBL25747925 0.84 ALDH1A1 (0.41) MAPK14KDM4EMAPK1ALDH1A1MAPT
SCHEMBL25747919 0.81 MAPK14 (0.38) MAPK14KDM4EMAPK1GABRPGABRD
SCHEMBL25438668 0.81 ALDH1A1 (0.38) MAPK14KDM4EMAPK1ALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118715204-A Compounds of formula (I) 普赛洛私人有限公司 2024-09-27 — — CN disclosed
Send feedback