SCHEMBL21202809

SCHEMBL21202809

Bc1ccc(-c2cc(C)c(-c3ccccc3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
RAB9A P51151 7/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
DYRK1A Q13627 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
ESR2 Q92731 1/20 0.39
SQOR Q9Y6N5 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL21202835 0.91 LDHA (0.49) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL29604379 0.90 LDHA (0.64) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL117744 0.90 LDHA (0.64) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL29365185 0.88 LDHA (0.62) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL14988841 0.88 LDHA (0.62) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL20007325 0.88 LDHA (0.49) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL19454861 0.87 LDHA (0.57) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL21202798 0.86 IDO1 (0.39) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL18015342 0.84 LDHA (0.54) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL21202806 0.84 PIM1 (0.44) LDHASMN1; SMN2KDM4EMAPTIDO1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526226-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed