SCHEMBL6977028

SCHEMBL6977028

CC(=O)c1cccc(CC(=O)Nc2nc(C)ns2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.51
ROCK1 Q13464 2/20 0.51
ALDH1A1 P00352 5/20 0.50
CSNK1D P48730 3/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
ROCK2 O75116 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
BACE1 P56817 1/20 0.47
NOD2 Q9HC29 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DYRK2 Q92630 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
SCHEMBL9852280 0.83 ALDH1A1 (0.69) ALDH1A1CSNK1DTSHRLMNAROCK2
SCHEMBL17988257 0.76 FFAR2 (0.56) ALDH1A1CSNK1DTSHRLMNAROCK2
SCHEMBL7856485 0.75 ROCK2 (0.49) ALDH1A1CSNK1DTSHRLMNAROCK2
SCHEMBL13544888 0.73 KMT2A (0.67) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL1377141 0.70 ADORA3 (0.68) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL1855039 0.69 RAB9A (0.58) ALDH1A1TSHRLMNAROCK2MEN1
SCHEMBL13513257 0.69 MAOB (0.51) ALDH1A1LMNACYP1A2CYP2D6HPGD
SCHEMBL4962122 0.69 MAOB (0.51) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL10082486 0.68 ALDH1A1 (0.66) ALDH1A1CSNK1DTSHRLMNAMEN1
SCHEMBL1706376 0.67 MAOB (0.54) ALDH1A1LMNAMEN1KMT2ACYP1A2

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
EP-1274696-A1 OXIME DERIVATIVES FOR CONTROLLING UNDESIRED MICROORGANISMS AND ANIMAL PESTS Bayer CropScience AG (DE) 2003-01-15 EP disclosed
WO-2001072726-A1 OXIME DERIVATIVES FOR CONTROLLING UNDESIRED MICROORGANISMS AND ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 2001-10-04 WO disclosed