SCHEMBL31258770

SCHEMBL31258770

O=C(NNC(=O)C(F)F)c1nnc2c(Cl)cc(SCc3ccccc3)cn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
ABL1 P00519 3/20 0.34
SRC P12931 3/20 0.34
MAPT P10636 5/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.32
PDE6D O43924 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MCL1 Q07820 1/20 0.31
BCL2A1 Q16548 1/20 0.31
HPGD P15428 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL30713208 0.85 KDM4E (0.39) KDM4EALDH1A1MAPK1ABL1SRC
SCHEMBL31258709 0.85 HDAC8 (0.38) KDM4EALDH1A1MAPK1ABL1SRC
SCHEMBL31258705 0.84 MEN1 (0.34) KDM4EALDH1A1MAPK1ABL1SRC
SCHEMBL30713239 0.80 ALDH1A1 (0.43) KDM4EALDH1A1MAPK1MAPTMEN1
SCHEMBL38664085 0.79 ABCC8 (0.33) ALDH1A1MAPK1LMNAGAAHTT
SCHEMBL31049390 0.77 CXCR2 (0.34) KDM4EMAPK1ABL1SRCMAPT
SCHEMBL31258785 0.76 ALDH1A1 (0.42) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL30687474 0.75 HTT (0.33) KDM4EALDH1A1ABL1SRCMAPT
SCHEMBL30713275 0.75 HDAC8 (0.34) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL30713232 0.72 HTT (0.37) KDM4EALDH1A1MAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716532-A2 BICYCLIC HETEROARYL COMPOUNDS Quantx Biosciences US, Inc. (US) 2026-04-01 EP disclosed
EP-4549438-A1 FIVE-MEMBERED AND SIX-MEMBERED NITROGEN-CONTAINING COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-05-07 EP disclosed
WO-2024243304-A2 BICYCLIC HETEROARYL COMPOUNDS QUANTX BIOSCIENCES US, INC. (US) 2024-11-28 WO disclosed