SCHEMBL23028890

SCHEMBL23028890

c1ccc2c(c1)Oc1cccc3c1C2(c1ccc(-c2cccc4ccccc24)cc1)c1ccccc1-3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.38
ENPP3 O14638 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
MAPK1 P28482 2/20 0.34
ATM Q13315 2/20 0.34

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
SCHEMBL23028708 0.94 ENPP3 (0.41) ENPP1ENPP3CA12CA1CA2
SCHEMBL25866768 0.88 KDM4E (0.33) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL25858619 0.87 KDM4E (0.32) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL23028907 0.87 KDM4E (0.40) ENPP1ENPP3KDM4EMAPTSMN1; SMN2
SCHEMBL23028889 0.86 ALOX5 (0.35) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL23028720 0.83 CHRNA1 (0.36) ENPP1ENPP3CA12CA1CA2
SCHEMBL23028908 0.83 ATM (0.38) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL23028749 0.83 KDM4E (0.36) ENPP1ENPP3CA12CA1CA2
SCHEMBL25857456 0.82 KDM4E (0.33) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL28543533 0.82 MCL1 (0.39) ENPP1ENPP3CA12CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021034089-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 WO disclosed