SCHEMBL27600705

SCHEMBL27600705

CN(C)CCNC(=O)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 2/20 0.63
NAAA Q02083 1/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 2/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
FYN P06241 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
BRAF P15056 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
EPHX2 P34913 1/20 0.53
SETD7 Q8WTS6 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52

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
SCHEMBL30046741 0.87 ALDH1A1 (0.73) NAMPTKDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL9339173 0.83 MAPT (0.69) L3MBTL1KDM4ENAAAALDH1A1SMN1; SMN2
SCHEMBL9231802 0.82 KDM4E (0.55) L3MBTL1KDM4ENAAAALDH1A1SMN1; SMN2
SCHEMBL2087431 0.82 ALDH1A1 (0.62) NAAAALDH1A1SMN1; SMN2RAB9ACYP1A2
Water SCHEMBL28037691 0.81 ALDH1A1 (0.61) NAMPTKDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL29811176 0.81 THRB (0.62) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL3210491 0.81 THRB (0.62) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL20547794 0.81 ALDH1A1 (0.60) NAAAALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL11407954 0.81 ALDH1A1 (0.65) NAMPTALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL6207528 0.81 SMN1; SMN2 (0.67) NAMPTL3MBTL1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1634585-A Anti-cancer medicine composition SHANDONG LANJIN BIOENGINEERING (CN) 2005-07-06 CN claimed
CN-102133407-A Conjugates of therapeutic or cytotoxic agents and biologically active peptides UNIV TULANE 2011-07-27 CN disclosed
CN-100438913-C Anti-cancer medicine composition SHANDONG LANJIN BIOENGINEERING (CN) 2008-12-03 CN disclosed
CN-1923284-A Anti-cancer drug slow release injection and uses thereof KONG QINGZHONG (CN) 2007-03-07 CN disclosed
CN-1824313-A Slow release microsphere containing hormone kind anti cancer medicine and its application JINAN KANGQUAN MEDICINE SCI & (CN) 2006-08-30 CN disclosed
CN-1634585-A Anti-cancer medicine composition SHANDONG LANJIN BIOENGINEERING (CN) 2005-07-06 CN disclosed