SCHEMBL27980701

SCHEMBL27980701

NOC(=O)Cc1ccccc1.[KH]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PAM P19021 1/20 0.57
TSHR P16473 1/20 0.55
CES1 P23141 2/20 0.54
CES2 O00748 1/20 0.54
AKR1B1 P15121 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 1/20 0.46
SRR Q9GZT4 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45

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
SCHEMBL229486 0.98 L3MBTL1 (0.61) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL15820218 0.96 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1PAMTSHR
Ammonia Solution, Strong SCHEMBL28260174 0.96 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL27749803 0.82 ALDH1A1 (0.48) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL248113 0.79 ALDH1A1 (0.65) L3MBTL1MAPK1ALDH1A1PAMTSHR
Benzene SCHEMBL9407299 0.79 ALDH1A1 (0.65) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL664857 0.79 ALDH1A1 (0.65) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL18269361 0.78 LOXL2 (0.47) L3MBTL1MAPK1ALDH1A1SMN1; SMN2HDAC6
SCHEMBL999003 0.78 ALDH1A1 (0.42) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL16066069 0.78 CA2 (0.59) L3MBTL1MAPK1ALDH1A1MEN1KMT2A

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-203916339-U A kind of powder trap CHONGQING HUACAI CHEMICAL CO LTD 2014-11-05 CN disclosed