SCHEMBL19928281

SCHEMBL19928281

Cc1cccc(-c2cc(C)c(-c3cnn(-c4cccc(C#N)c4)c3)c(C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.54
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
AXL P30530 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
NOTUM Q6P988 1/20 0.39
KMT2A Q03164 2/20 0.37
KCNJ1 P48048 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
GRM4 Q14833 1/20 0.35
ALDH1A3 P47895 1/20 0.35
PIK3CD O00329 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL19928273 0.90 CYP11B1 (0.46) GRM5CYP11B1CYP11B2AXLKMT2A
SCHEMBL19928285 0.88 GRM5 (0.51) GRM5CYP11B1CYP11B2AXLIRAK4
SCHEMBL19902047 0.79 CYP11B2 (0.51) GRM5CYP11B1CYP11B2AXLKMT2A
SCHEMBL19928291 0.78 CYP11B2 (0.43) GRM5CYP11B1CYP11B2AXLKMT2A
SCHEMBL19902102 0.78 GRM5 (0.70) GRM5AXLIRAK4NOTUMKMT2A
SCHEMBL5220524 0.74 GRM5 (0.68) GRM5AXLNOTUM
SCHEMBL16202060 0.73 GRM4 (0.52) KMT2AGRM4NPC1RAB9A
SCHEMBL5216403 0.73 GRM5 (0.74) GRM5AXLNOTUMCHRNB2CHRNA5
SCHEMBL24908424 0.71 GRM5 (0.54) GRM5IRAK4NOTUMKCNJ1
SCHEMBL7386770 0.71 CLK4 (0.53) NOTUM

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-9911928-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 US disclosed