SCHEMBL28075002

SCHEMBL28075002

O=C(c1cc[c]cc1)N(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA2C P18825 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
DAO P14920 1/20 0.38
TSHR P16473 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
HPGD P15428 2/20 0.38
MLYCD O95822 2/20 0.37
NR3C2 P08235 1/20 0.37
HSD11B1 P28845 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7831912 0.94 RAB9A (0.42) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL10937900 0.88 L3MBTL1 (0.53) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL8000574 0.84 CES2 (0.38) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL6678148 0.82 NPSR1 (0.50) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL3780927 0.82 SMN1; SMN2 (0.48) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL6797589 0.81 HPGD (0.39) L3MBTL1TDP1RAB9ASMN1; SMN2KMT2A
SCHEMBL6797317 0.81 NR3C2 (0.51) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL11416543 0.81 RAB9A (0.41) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL8012102 0.81 ESR1 (0.49) TDP1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL27685166 0.79 L3MBTL1 (0.50) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C

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-105732414-A AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD 三井化学AGRO株式会社 2016-07-06 CN claimed
CN-105732414-A AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD 三井化学AGRO株式会社 2016-07-06 CN disclosed