SCHEMBL31258709

SCHEMBL31258709

O=C(NNC(=O)C(F)F)c1cnc2c(Cl)cc(SCc3ccccc3)cn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.38
MAPK1 P28482 1/20 0.35
EPHB3 P54753 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GRM4 Q14833 1/20 0.33
CXCR2 P25025 1/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32

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
SCHEMBL30713275 0.89 HDAC8 (0.34) HDAC8MEN1KMT2AGRM4CXCR2
SCHEMBL31258741 0.85 EPHB3 (0.38) HDAC8MAPK1EPHB3MEN1KMT2A
SCHEMBL31258770 0.85 KDM4E (0.37) MAPK1MEN1KMT2ARXFP1ABL1
SCHEMBL31258705 0.84 MEN1 (0.34) HDAC8MAPK1EPHB3MEN1KMT2A
SCHEMBL29267236 0.82 EGLN1 (0.39) HDAC8MEN1KMT2ARXFP1KDM4E
SCHEMBL38664085 0.79 ABCC8 (0.33) MAPK1RXFP1CXCR2ALDH1A1EGLN1
SCHEMBL30357546 0.77 EPHB3 (0.32) HDAC8EPHB3MEN1KMT2A
SCHEMBL31049390 0.77 CXCR2 (0.34) HDAC8MAPK1MEN1KMT2AGRM4
SCHEMBL29267300 0.76 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31258732 0.73 SCN9A (0.41) HDAC8MAPK1MEN1KMT2AKDM4E

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-4716532-A2 BICYCLIC HETEROARYL COMPOUNDS Quantx Biosciences US, Inc. (US) 2026-04-01 EP disclosed
WO-2024243304-A2 BICYCLIC HETEROARYL COMPOUNDS QUANTX BIOSCIENCES US, INC. (US) 2024-11-28 WO disclosed