SCHEMBL21622650

SCHEMBL21622650

c1cnc2c(c1)ccc1cccc(-c3ccc(-c4cccc5ccc6cccnc6c45)c4c3sc3ccccc34)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 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
SMN1; SMN2 Q16637 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
CCR1 P32246 4/20 0.42
CCR8 P51685 4/20 0.42
TSHR P16473 3/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
CCR5 P51681 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
SCHEMBL21622586 0.96 MAPT (0.41) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622473 0.93 LMNA (0.41) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622636 0.91 LMNA (0.43) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622648 0.90 LMNA (0.44) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622848 0.90 LMNA (0.44) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622609 0.89 ALDH1A1 (0.41) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622484 0.88 MAPT (0.46) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622479 0.86 MAPT (0.45) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622685 0.84 LMNA (0.40) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL21622622 0.83 CCR1 (0.50) MAPTLMNAKDM4EMEN1KMT2A

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