SCHEMBL21622641

SCHEMBL21622641

c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2cccc3ccc4cccnc4c23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
AGTR1 P30556 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.37
CCR1 P32246 5/20 0.37
CCR8 P51685 5/20 0.37
CCR5 P51681 3/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL21622474 0.98 LMNA (0.41) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622521 0.95 LMNA (0.40) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622522 0.95 LMNA (0.40) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622520 0.94 LMNA (0.41) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622620 0.93 LMNA (0.40) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622617 0.93 ALDH1A1 (0.40) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622842 0.93 LIMK1 (0.41) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622507 0.92 ALDH1A1 (0.41) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622838 0.92 CCR1 (0.44) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL21622565 0.89 CCR1 (0.40) LMNAKDM4EMAPTALDH1A1MEN1

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