SCHEMBL28114801

SCHEMBL28114801

CCc1n[nH]c(=O)n1-c1ccc(CCl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.38
FASN P49327 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.35
HCAR1 Q9BXC0 2/20 0.35
BRD9 Q9H8M2 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL10580884 0.81 BRD9 (0.46) TDP1CYP2C9CYP1A2BRD9ALDH1A1
SCHEMBL8593320 0.67
SCHEMBL8603151 0.67 ALDH1A1 (0.67) L3MBTL1APOBEC3GNPC1RAB9APOLB
SCHEMBL23565181 0.66 ALDH1A1 (0.42) TDP1L3MBTL1NPC1RAB9APOLB
SCHEMBL2511334 0.65
SCHEMBL16433913 0.65 GAA (0.46) TDP1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL9779799 0.65 ALDH1A1 (0.33) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL25218109 0.63 PDE4B (0.38) TDP1CYP2C9CYP1A2BRD9ALDH1A1
SCHEMBL4504442 0.63 GAA (0.39) TDP1APOBEC3GPOLBCYP1A2AGTR1
SCHEMBL8600943 0.62 TDP1 (0.71) TDP1L3MBTL1NPC1RAB9ACYP2C9

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-104496275-B Silty soil roadbed solidifying agent and preparation method thereof 山西省交通科学研究院 2017-01-11 CN disclosed