SCHEMBL31361376

SCHEMBL31361376

CCOC(=O)C=Nc1[nH]nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL3493236 0.74 HPGDS (0.60) HPGDSALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL13302136 0.71 MAPT (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL14040320 0.71 MAPT (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
Hydrochloric Acid SCHEMBL11809295 0.70 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL28670818 0.68 RAB9A (0.48) HPGDSALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL11269746 0.67 HPGDS (0.61) HPGDSALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL27321802 0.67 RAB9A (0.63) HPGDSALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3263722 0.67 HPGDS (0.57) HPGDSALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL8168092 0.67 HPGDS (0.51) HPGDSALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL20028167 0.66 MAPT (0.39) HPGDSALDH1A1KDM4EHPGDLMNA

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 — — CN disclosed
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