SCHEMBL29036618

SCHEMBL29036618

Cc1ccc(CC(=O)c2cc(C)c(OC(N)=O)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ESR1 P03372 1/20 0.38
SHBG P04278 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 1/20 0.38
BCL2L1 Q07817 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL29036622 0.80 MEN1 (0.50) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL29036636 0.78 GPR52 (0.45) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL8663113 0.75 NPC1 (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29645244 0.71 HPGD (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11812190 0.71 LMNA (0.68) NPC1SMN1; SMN2LMNAMAPK1HTT
SCHEMBL29036617 0.70 PDE4A (0.42) PARP10
SCHEMBL473085 0.70 L3MBTL1 (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29669768 0.70 L3MBTL1 (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11471602 0.70 TSHR (0.50) SMN1; SMN2LMNAHTTMEN1ALDH1A1
SCHEMBL24459458 0.69 L3MBTL1 (0.43) L3MBTL1NPC1RAB9ALMNAMAPK1

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-116457340-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-07-18 CN disclosed