SCHEMBL21622848

SCHEMBL21622848

c1cnc2c(c1)ccc1cccc(-c3cccc4c3sc3c(-c5cccc6c5sc5ccccc56)cccc34)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
OPRK1 P41145 2/20 0.44
ESR1 P03372 1/20 0.44
POLB P06746 1/20 0.44
AGTR1 P30556 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
MTOR P42345 2/20 0.42

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
SCHEMBL21622648 0.97 LMNA (0.44) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL21622636 0.96 LMNA (0.43) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL21622823 0.93 ALOX5 (0.46) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL21622622 0.92 CCR1 (0.50) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL21622673 0.92 PRKDC (0.47) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL30094397 0.90 ALOX5 (0.47) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL21616818 0.90 ALOX5 (0.47) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL21622650 0.90 MAPT (0.44) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL21622651 0.89 ALOX5 (0.46) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL21622563 0.88 ALOX5 (0.48) LMNAKDM4EMAPTMEN1KMT2A

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