SCHEMBL31077720

SCHEMBL31077720

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 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
▸ 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
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ GABRA2 P47869 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ GABRA4 P48169 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
SCHEMBL25747942 1.00 KDM4E (0.39) KDM4EMAPK1MAPK14MEN1ALDH1A1
SCHEMBL25747933 0.95 ALDH1A1 (0.38) KDM4EMAPK1MAPK14MEN1ALDH1A1
SCHEMBL25747925 0.90 ALDH1A1 (0.41) KDM4EMAPK1MAPK14MEN1ALDH1A1
SCHEMBL31077730 0.89 MAPK14 (0.39) KDM4EMAPK1MAPK14MEN1ALDH1A1
SCHEMBL25747909 0.89 MAPK14 (0.39) KDM4EMAPK1MAPK14MEN1ALDH1A1
SCHEMBL25424702 0.84 ALDH1A1 (0.40) KDM4EMAPK1MAPK14MEN1ALDH1A1
SCHEMBL31077755 0.84 MAPK14 (0.47) KDM4EMAPK1MAPK14GABRPGABRD
SCHEMBL25747875 0.84 MAPK14 (0.47) KDM4EMAPK1MAPK14GABRPGABRD
SCHEMBL25438668 0.81 ALDH1A1 (0.38) KDM4EMAPK1MAPK14MEN1ALDH1A1
SCHEMBL25424905 0.81 MAPK14 (0.39) KDM4EMAPK1MAPK14MTNR1AMTNR1B

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
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