SCHEMBL25964263

SCHEMBL25964263

COc1ccc(NSC)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CSF1R P07333 1/20 0.32
CXCR2 P25025 1/20 0.30
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL21190757 0.82 AAK1 (0.34) EGFR
SCHEMBL21190851 0.80 EGFR (0.32) EGFR
SCHEMBL21191010 0.80 POLB (0.35) MAPTKMT2A
SCHEMBL14880907 0.78 CA12 (0.43) EGFRKDM4EMAPTKMT2ACA12
SCHEMBL18605365 0.78 ALDH1A1 (0.50) KDM4EMAPTKMT2A
SCHEMBL21840998 0.78 EGFR (0.39) EGFRCA12CA1CA2CA3
SCHEMBL14885513 0.78 EGFR (0.39) EGFRCA12CA1CA2CA3
SCHEMBL21191084 0.76 LPL (0.34) CA12CA1CA2CA3CA4
SCHEMBL15454943 0.75 ACHE (0.47) EGFRKDM4EMAPTKMT2ACSF1R
SCHEMBL16760910 0.75 CA1 (0.47) EGFRMAPTKMT2ACA12CA1

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
EP-3495349-B1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2023-06-28 EP disclosed