SCHEMBL16620819

SCHEMBL16620819

CCc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
MTOR P42345 2/20 0.57
EPHX2 P34913 1/20 0.57
RAB9A P51151 6/20 0.56
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
KDR P35968 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
NPC1 O15118 4/20 0.52
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51

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
SCHEMBL16628073 0.85 CA12 (0.59) MAPTCA12CA1CA2CA9
SCHEMBL11001590 0.84 EPHX2 (0.81) MAPTCA12CA1CA2CA9
SCHEMBL16786359 0.83 MAPT (0.65) MAPTCA12CA1CA2CA9
SCHEMBL16628034 0.82 MAPT (0.60) MAPTCA12CA1CA2CA9
SCHEMBL4113855 0.82 RAB9A (0.79) MAPTCA12CA1CA2CA9
SCHEMBL2681462 0.82 MAPT (0.78) MAPTCA12CA1CA2CA9
SCHEMBL11008406 0.81 CA12 (0.56) MAPTCA12CA1CA2CA9
SCHEMBL16628060 0.81 CA12 (0.66) MAPTCA12CA1CA2CA9
SCHEMBL17664318 0.80 EPHX2 (0.81) MAPTCA12CA1CA2CA9
SCHEMBL16620818 0.80 NAMPT (0.61) MAPTCA12CA1CA2CA9

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
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed