SCHEMBL30601237

SCHEMBL30601237

CCOC(=O)c1cccn1NCc1ccc(OC)cc1C1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ POLB P06746 3/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL30601270 0.86 EPHX2 (0.43) KMT2AMAPTLMNATSHREPHX2
SCHEMBL5337383 0.75 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2POLBEPHX2ALDH1A1
SCHEMBL30601259 0.74 KDM4E (0.39) KMT2AMAPTLMNASMN1; SMN2TSHR
SCHEMBL3427007 0.69 ALDH1A1 (0.52) KMT2AMAPTLMNASMN1; SMN2TSHR
SCHEMBL30601251 0.67 KDM4E (0.39) KMT2AMAPTLMNAPOLBALDH1A1
SCHEMBL30601283 0.67 NPSR1 (0.39) KMT2AMAPTTSHREPHX2ALDH1A1
SCHEMBL30601230 0.67 EPHX2 (0.43) KMT2AMAPTSMN1; SMN2TSHRPOLB
SCHEMBL13580314 0.67 POLB (0.58) MAPTLMNAPOLBALDH1A1KDM4E
SCHEMBL13580228 0.67 MTNR1A (0.52) MAPTALDH1A1KDM4EHPGD
SCHEMBL31556717 0.66 ALDH1A1 (0.48) KMT2AMAPTLMNASMN1; SMN2TSHR

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-116514816-A Pyrimidinone pyrrole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-08-01 — — CN disclosed
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