SCHEMBL31065360

SCHEMBL31065360

O=C(c1cc(Br)ccc1OCc1ccccc1)C(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.58
FOLH1 Q04609 1/20 0.52
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
PTGES O14684 1/20 0.49
PTGER1 P34995 1/20 0.48
CCR5 P51681 2/20 0.48
SLC6A4 P31645 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL31065357 1.00 LRRK2 (0.58) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL384896 0.86 FOLH1 (0.68) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL4723723 0.82 LRRK2 (0.58) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL30591972 0.82 PTGDR2 (0.67) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL6452235 0.82 PTGDR2 (0.67) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL552025 0.81 LRRK2 (0.57) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL9876914 0.81 LRRK2 (0.59) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL28260622 0.80 LRRK2 (0.59) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL5431545 0.80 LRRK2 (0.63) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL6492975 0.77 LRRK2 (0.60) LRRK2FOLH1LMNAPOLBKDM4E

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-4602044-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF invIOs GmbH (AT) 2025-08-20 EP disclosed
WO-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 WO disclosed