SCHEMBL28264010

SCHEMBL28264010

CCC(C(N)=O)c1ccccc1CN

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
FLT4 P35916 3/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PNMT P11086 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL5504222 0.89 EPHX1 (0.41) EPHX1FLT4TSHRLMNAHSD17B10
SCHEMBL8134188 0.82 CYSLTR2 (0.42) FLT4CYSLTR2CYSLTR1
SCHEMBL27637226 0.79 CXCL8 (0.45) EPHX1FLT4KMT2APNMT
SCHEMBL2030601 0.79 ALDH1A1 (0.44) EPHX1KMT2ATSHRLMNAHSD17B10
SCHEMBL10515048 0.79 TSHR (0.55) EPHX1TSHRLMNAHSD17B10ALDH1A1
SCHEMBL3255854 0.78 ALDH1A1 (0.48) ALDH1A1KDM4E
SCHEMBL2032138 0.77 KCNQ2 (0.48) EPHX1KMT2AALDH1A1
SCHEMBL15502391 0.77 EPHX1 (0.40) EPHX1TSHRLMNAHSD17B10ALDH1A1
SCHEMBL3138036 0.77 HTT (0.44) EPHX1TSHRLMNAHSD17B10ALDH1A1
SCHEMBL3364493 0.77 KCNQ2 (0.48) EPHX1KMT2ALMNAALDH1A1KDM4E

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-110168104-A METHODS AND SYSTEMS FOR CHARACTERIZING ANALYTES USING NANOPORES 牛津纳米孔技术公司 2019-08-23 CN disclosed
CN-109071618-A MUTANT PORE 牛津纳米孔技术公司 2018-12-21 CN disclosed