SCHEMBL23645425

SCHEMBL23645425

CCOC(=O)c1cc2n(n1)CCC(CCOCc1ccccc1)O2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
RIPK1 Q13546 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FAAH O00519 1/20 0.37
HTR7 P34969 1/20 0.36
PRMT1 Q99873 1/20 0.36
CSNK1D P48730 1/20 0.36
JMJD6 Q6NYC1 1/20 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
SCHEMBL21810833 0.90 GAA (0.40) GAAKMT2ASMN1; SMN2RIPK1POLB
SCHEMBL23645420 0.82 L3MBTL1 (0.41) GAAKMT2ASMN1; SMN2POLBMAPT
SCHEMBL23645360 0.82 FAAH (0.36) GAAKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL23645323 0.79 ATM (0.38) GAAKMT2APOLBMAPTALDH1A1
SCHEMBL23653209 0.79 LMNA (0.39) RIPK1LMNA
SCHEMBL23645339 0.75 FAAH (0.34) GAAKMT2AMAPTFAAHJMJD6
SCHEMBL19299941 0.75 KMT2A (0.41) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL23645362 0.75 KMT2A (0.39) GAAKMT2APOLBALDH1A1FAAH
SCHEMBL23645403 0.73 ALDH1A1 (0.40) GAAKMT2ASMN1; SMN2POLBMAPT
SCHEMBL23645416 0.73 RIPK1 (0.44) GAAKMT2ASMN1; SMN2RIPK1MAPT

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
CN-112689636-B Novel heteroatom aromatic amide derivative and pharmaceutical agent containing same 科研制药株式会社 2024-08-20 CN disclosed
EP-3851436-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2021-07-21 EP disclosed