SCHEMBL27345690

SCHEMBL27345690

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGFR P00533 1/20 0.44
PLAT P00750 1/20 0.43
SLC6A4 P31645 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL27345692 0.90 EGFR (0.43) MEN1KMT2AL3MBTL1EGFRPLAT
SCHEMBL27345687 0.88 MRGPRX4 (0.52) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL27345598 0.84 LMNA (0.46) MEN1KMT2AEGFRLPLLIPG
SCHEMBL27345779 0.84 EGFR (0.48) MEN1KMT2AL3MBTL1EGFRNPC1
SCHEMBL1516719 0.84 EGFR (0.48) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL27345782 0.83 EGFR (0.44) EGFRNPC1RAB9AMRGPRX4POLB
SCHEMBL17129014 0.83 EGFR (0.47) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL27345601 0.83 EGFR (0.48) MEN1KMT2AEGFRPOLBMAPT
SCHEMBL15884409 0.83 EGFR (0.52) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL190136 0.82 DGAT1 (0.43) EGFRNPC1RAB9APOLBLPL

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-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 WO disclosed