SCHEMBL21622831

SCHEMBL21622831

c1ccc(-c2cccc(-c3cccc4c3sc3ccc(-c5cccc6ccc7cccnc7c56)cc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.41
ALOX5 P09917 1/20 0.41
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ROCK1 Q13464 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
AGTR1 P30556 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
PIM3 Q86V86 2/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL21622493 0.96 ALOX5 (0.43) LIMK1ALOX5LMNAKDM4EMAPT
SCHEMBL21622510 0.92 ALOX5 (0.41) LIMK1ALOX5LMNAKDM4EMAPT
SCHEMBL21622634 0.91 ALOX5 (0.47) LIMK1ALOX5LMNAKDM4EMAPT
SCHEMBL21622842 0.91 LIMK1 (0.41) LIMK1LMNAKDM4EMAPTROCK1
SCHEMBL21622563 0.90 ALOX5 (0.48) LIMK1ALOX5LMNAKDM4EMAPT
SCHEMBL21622971 0.89 ALOX5 (0.45) LIMK1ALOX5LMNAKDM4EMAPT
SCHEMBL21622641 0.89 LMNA (0.40) LIMK1ALOX5LMNAKDM4EMAPT
SCHEMBL21622632 0.88 LIMK1 (0.45) LIMK1ALOX5LMNAKDM4EMAPT
SCHEMBL21622651 0.87 ALOX5 (0.46) LIMK1ALOX5LMNAKDM4EMAPT
SCHEMBL21622966 0.86 CCR1 (0.43) LIMK1ALOX5LMNAKDM4EMAPT

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