SCHEMBL27345692

SCHEMBL27345692

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CSF1R P07333 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PLAT P00750 1/20 0.36

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
SCHEMBL27345598 0.91 LMNA (0.46) EGFRLMNAHTTMEN1KMT2A
SCHEMBL27345690 0.90 MEN1 (0.46) EGFRLMNAMEN1KMT2AMRGPRX4
SCHEMBL27345782 0.87 EGFR (0.44) EGFRLMNAHTTMRGPRX4NPC1
SCHEMBL27345687 0.85 MRGPRX4 (0.52) EGFRLMNAHTTMEN1KMT2A
SCHEMBL27345772 0.85 LMNA (0.46) EGFRLMNAHTTMEN1KMT2A
SCHEMBL27345601 0.85 EGFR (0.48) EGFRLMNAMEN1KMT2APOLB
SCHEMBL1516719 0.81 EGFR (0.48) EGFRHTTMEN1KMT2ANPC1
SCHEMBL27345779 0.81 EGFR (0.48) EGFRLMNAHTTMEN1KMT2A
SCHEMBL17129014 0.81 EGFR (0.47) EGFRMEN1KMT2AMRGPRX4NPC1
SCHEMBL23484499 0.80 LPL (0.48) EGFRLMNAHTTPOLBLPL

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