SCHEMBL21622822

SCHEMBL21622822

c1ccc(-c2ccc3oc4ccc(-c5cccc6ccc7cccnc7c56)cc4c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
MMP2 P08253 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP9 P14780 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39
CCR1 P32246 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
SCHEMBL21622579 0.95 PIM1 (0.39) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL21622644 0.95 PIM1 (0.38) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL21622830 0.94 CCR1 (0.44) KDM4EMAPTALOX15TSHRMMP2
SCHEMBL21622500 0.93 KDM4E (0.37) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL21622503 0.92 CCR1 (0.38) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL16629750 0.90 PIM1 (0.35) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL24926016 0.90 KDM4E (0.35) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL21622684 0.90 HCRTR1 (0.40) KDM4EMAPTALOX15TSHRMMP2
SCHEMBL21622665 0.90 ALOX5 (0.43) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL21622666 0.90 PIM1 (0.41) PIM1CSNK2A2CSNK2BPIM3PIM2

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
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed