SCHEMBL21622854

SCHEMBL21622854

c1cc(-c2ccc3c(ccc4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PRKDC P78527 2/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
BRD4 O60885 1/20 0.37
ERN1 O75460 1/20 0.36
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36

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
SCHEMBL21622607 0.92 ALOX5 (0.50) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL21622847 0.92 ALOX5 (0.49) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL21622634 0.87 ALOX5 (0.47) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL21622807 0.87 ALOX5 (0.47) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL21622849 0.87 ALOX5 (0.49) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL15582074 0.87 ALOX5 (0.47) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL21622800 0.87 ALOX5 (0.47) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL21622563 0.86 ALOX5 (0.48) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL21622808 0.86 ALOX5 (0.50) ALOX5PRKDCLMNAKDM4EMAPT
SCHEMBL15188007 0.85 ALOX5 (0.58) ALOX5PRKDCMAPTALDH1A1HIF1A

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