SCHEMBL28457993

SCHEMBL28457993

CC(=O)C(=O)NOc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL27676833 0.85 ALDH1A1 (0.47) NOTUMNPSR1ALDH1A1HPGDHTT
SCHEMBL3066977 0.82 NOTUM (0.49) NOTUMNPC1RAB9ANPSR1ALDH1A1
SCHEMBL28464362 0.81 CA12 (0.48) ALDH1A1HTTTDP1LMNAKMT2A
SCHEMBL28467697 0.80 MEN1 (0.46) NPC1RAB9AALDH1A1HPGDMEN1
SCHEMBL31261822 0.76 TDP1 (0.41) NOTUMNPSR1ALDH1A1HPGDHTT
SCHEMBL28454695 0.74 KDM4E (0.50) NPC1RAB9AALDH1A1HPGDHTT
SCHEMBL6363008 0.71 TDP1 (0.46) NOTUMNPC1RAB9ANPSR1ALDH1A1
SCHEMBL30910832 0.71 TSHR (0.52) NOTUMNPC1RAB9ANPSR1ALDH1A1
SCHEMBL172737 0.70 PTGS2 (0.59) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL30179347 0.70 PTGS2 (0.59) ALDH1A1HPGDHTTTDP1LMNA

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-111587239-B Method for producing lactam compound and lactam compound produced by the method 基础科学研究院 2024-04-02 CN disclosed
CN-111587239-A Method for producing lactam compound and lactam compound produced by same 基础科学研究院 2020-08-25 CN disclosed