SCHEMBL21776018

SCHEMBL21776018

Cc1ccc(Nc2ccc(C)c(C)c2C)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.59
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL30320262 0.87 RAPGEF4 (0.74) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1334869 0.87 RAPGEF4 (0.74) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1335872 0.84 KMT2A (0.44) RAPGEF4KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL22814342 0.78 RAPGEF4 (0.63) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL7866844 0.78 RAPGEF4 (0.63) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1921160 0.78 RAPGEF4 (0.63) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL8598906 0.77 RAPGEF4 (0.61) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL30575353 0.77 RAPGEF4 (0.61) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL13776396 0.77 RAPGEF4 (0.73) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1921159 0.76 RAPGEF4 (0.65) RAPGEF4KMT2AMEN1MAPK1SMN1; SMN2

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
EP-3613752-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-02-26 EP disclosed