SCHEMBL16484866

SCHEMBL16484866

c1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)-c3ccc(-c5ccc(-n6c7ccccc7c7ccncc76)cc5)c5cccc-4c35)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ MAPK9 P45984 6/20 0.36
▸ MAPK10 P53779 6/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ TNF P01375 1/20 0.36
▸ TDO2 P48775 2/20 0.35
▸ MET P08581 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 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
SCHEMBL16483432 0.94 MAPK9 (0.38) PIK3CDPIK3CBPIK3CGMAPK9MAPK10
SCHEMBL16484857 0.89 TNF (0.39) TNFCYP17A1CYP11B1CYP11B2MAPK14
SCHEMBL16484905 0.87 TNF (0.40) PIK3CDPIK3CBPIK3CGMAPK9MAPK10
SCHEMBL16484912 0.86 TNF (0.41) TNFCYP17A1CYP11B1CYP11B2DYRK1A
SCHEMBL16484870 0.86 TNF (0.36) TNFCYP11B1CYP11B2DYRK1ANTSR1
SCHEMBL16484909 0.86 TNF (0.37) TNFCYP17A1CYP11B1CYP11B2MAPK14
SCHEMBL16484885 0.85 TNF (0.35) TNFCYP11B1CYP11B2MAPK14DYRK1A
SCHEMBL16484883 0.85 TNF (0.43) TNFCYP11B1CYP11B2DYRK1ANTSR1
SCHEMBL16483728 0.85 KDM4E (0.35) TNFCYP17A1CYP11B1CYP11B2MAPK14
SCHEMBL16483433 0.85 TNF (0.40) TNFCYP17A1CYP11B1CYP11B2DYRK1A

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
WO-2014057873-A1 PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME 東レ株式会社 (JP) 2014-04-17 — — WO disclosed
Send feedback