SCHEMBL75420

SCHEMBL75420

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL4881032 0.82 KDM4E (0.54) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL73570 0.81 KDM4E (0.54) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL73113 0.81 HPGD (0.59) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL75565 0.79 KDM4E (0.51) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL10929709 0.78 HPGD (0.56) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL6244428 0.77 KDM4E (0.49) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL20718077 0.77 KDM4E (0.60) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL4882291 0.76 KDM4E (0.48) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL15143918 0.75 SMN1; SMN2 (0.79) KDM4EHPGDNPC1CYP1A2CYP2D6
SCHEMBL17904708 0.75 NPC1 (0.67) KDM4EHPGDNPC1CYP1A2CYP2D6

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