SCHEMBL19217072

SCHEMBL19217072

Nc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.62
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
OPRK1 P41145 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP2 O95551 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 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
SCHEMBL14174165 0.91 PDK2 (0.54) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL21763823 0.91 PDK2 (0.56) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL6294152 0.90 PDK2 (0.53) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL17790275 0.90 MEN1 (0.66) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL29756478 0.88 PDK2 (0.50) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL415665 0.88 PDK2 (0.50) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL29512055 0.88 PDK2 (0.50) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL416947 0.88 PDK2 (0.50) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL29424156 0.88 PDK2 (0.50) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL6297506 0.88 PDK2 (0.50) PDK2KDM4ELMNAMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129113-A1 NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022129114-A1 NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
EP-3202872-A1 ORGANIC LIGHT EMITTING ELEMENT LG Chem, Ltd. (KR) 2017-08-09 EP disclosed