SCHEMBL16404263

SCHEMBL16404263

CCOc1c(NC(=O)OC(C)(C)C)cnn1-c1cncc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.37
CYP11B2 P19099 4/20 0.36
CYP11B1 P15538 3/20 0.36
CYP17A1 P05093 1/20 0.36
KCNQ4 P56696 3/20 0.36
KCNQ5 Q9NR82 3/20 0.36
P2RX3 P56373 1/20 0.35
MAPT P10636 2/20 0.35
SCN9A Q15858 1/20 0.35
RAB9A P51151 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SYK P43405 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL2689391 0.83 RORC (0.37) RORCCYP11B2CYP11B1KCNQ4KCNQ5
SCHEMBL20688874 0.72 ELANE (0.38) CYP17A1SYKNAMPT
SCHEMBL2689378 0.72 ELOVL1 (0.38) CYP17A1
SCHEMBL4975965 0.71 HDAC3 (0.39) RORCCYP17A1GSK3BDYRK1ASYK
SCHEMBL15975596 0.71 ELOVL1 (0.38) CYP17A1P2RX3
SCHEMBL15779001 0.71 HPGDS (0.43) RAB9A
SCHEMBL15975618 0.71 ELOVL1 (0.37) CYP17A1
SCHEMBL2732950 0.70 ALDH1A1 (0.39) MAPTRAB9A
SCHEMBL15790694 0.70 TP53 (0.55) MAPT
SCHEMBL4975962 0.70 ELOVL1 (0.36) RORCCYP17A1

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
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed