SCHEMBL75565

SCHEMBL75565

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
CYP2D6 P10635 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX15 P16050 1/20 0.50
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44

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
SCHEMBL73368 0.81 KDM4E (0.54) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL73113 0.81 HPGD (0.59) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL75420 0.79 KDM4E (0.51) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL20718077 0.77 KDM4E (0.60) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL31286662 0.76 MEN1 (0.54) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL15143918 0.75 SMN1; SMN2 (0.79) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL9358296 0.75 HPGD (0.71) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL4881032 0.75 KDM4E (0.54) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL26624162 0.74 AR (0.42) KDM4ESMN1; SMN2ARALDH1A1MEN1
SCHEMBL13727027 0.74 LMNA (0.54) KDM4EHPGDCYP1A2SMN1; SMN2NPC1

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
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed