SCHEMBL27973201

SCHEMBL27973201

N#CC(CC(=O)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
APAF1 O14727 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 2/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL6223072 0.94 ALDH1A1 (0.48) KMT2AGAAMGAMSIMGAM2
SCHEMBL31326025 0.89 TSHR (0.53) KMT2AGAAMGAMSIMGAM2
SCHEMBL1754734 0.89 TSHR (0.53) KMT2AGAAMGAMSIMGAM2
SCHEMBL25525550 0.85 ALDH1A1 (0.49) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL28727241 0.85 ALDH1A1 (0.49) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL6203114 0.84 KMT2A (0.50) KMT2AGAAMGAMSIMGAM2
SCHEMBL8700030 0.84 KMT2A (0.67) KMT2ATSHRHPGDSMN1; SMN2MEN1
SCHEMBL28727138 0.84 KMT2A (0.53) KMT2ATSHRHPGDNPC1RAB9A
SCHEMBL8697129 0.84 KMT2A (0.53) KMT2AGAAMGAMSIMGAM2
SCHEMBL25525517 0.84 KMT2A (0.53) KMT2AGAAMGAMSIMGAM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504491-A Efficient preparation method and application of optically pure beta-cyano ketone 哈尔滨理工大学 2025-02-25 CN disclosed
CN-114456086-B Synthesis method of beta-cyano ketone 哈尔滨理工大学 2024-10-01 CN disclosed
CN-114456086-A Synthesis method of beta-cyano ketone 哈尔滨理工大学 2022-05-10 CN disclosed
CN-104030870-B A kind of preparation method of beta-cyano ketone NORTHWEST NORMAL UNIVERSITY (CN) 2015-10-28 CN disclosed
CN-104030870-A Method for preparing beta-cyan ketone UNIV NORTHWEST NORMAL 2014-09-10 CN disclosed