SCHEMBL73113

SCHEMBL73113

CC(C)OC(=O)Nc1cc(Cl)nc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
ALOX15 P16050 1/20 0.59
S1PR2 O95136 2/20 0.58
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
CYP2D6 P10635 1/20 0.51
RAB9A P51151 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46

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
SCHEMBL9358296 0.84 HPGD (0.71) HPGDALOX15KDM4ECYP1A2CYP2C9
SCHEMBL75420 0.81 KDM4E (0.51) HPGDALOX15KDM4ECYP1A2CYP2C9
SCHEMBL75565 0.81 KDM4E (0.51) HPGDALOX15KDM4ECYP1A2CYP2C9
SCHEMBL2637743 0.80 HPGD (0.61) HPGDALOX15KDM4ECYP1A2CYP2C9
SCHEMBL10929709 0.79 HPGD (0.56) HPGDALOX15KDM4ECYP1A2CYP2C9
SCHEMBL10752403 0.78 SMN1; SMN2 (0.55) HPGDALOX15KDM4ECYP1A2CYP2C9
SCHEMBL28066873 0.78 HPGD (0.48) HPGDALOX15S1PR2KDM4ECYP1A2
SCHEMBL13797469 0.78 S1PR2 (0.62) HPGDS1PR2KDM4ESMN1; SMN2RAB9A
SCHEMBL20718077 0.78 KDM4E (0.60) HPGDALOX15KDM4ECYP1A2CYP2C9
SCHEMBL15143918 0.77 SMN1; SMN2 (0.79) HPGDALOX15KDM4ECYP1A2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3181462-A None JP disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
JP-H03181462-A N-(4-PYRIDYL)CARBAMATE DERIVATIVES AND FLOWER-FORMING PROMOTER CONTAINING SAME DERIVATIVES AS ACTIVE COMPONENT NIPPON KAYAKU CO LTD 1991-08-07 JP disclosed