SCHEMBL31258781

SCHEMBL31258781

CCOC(=O)c1nnc2c(Cl)cc(Br)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.41
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
NOTUM Q6P988 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.36
CYP19A1 P11511 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30713236 0.85 ALDH1A1 (0.37) GABRA2GABRB2NOTUMALDH1A1KMT2A
SCHEMBL17093179 0.81 ALDH1A1 (0.46) GABRA2GABRB2ALDH1A1MEN1KMT2A
SCHEMBL27389813 0.78 WDR5 (0.41) WDR5BAZ2BBAZ2AGABRA2GABRB2
SCHEMBL29267273 0.78 IDO1 (0.42) WDR5BAZ2BBAZ2AGABRA2GABRB2
SCHEMBL31258785 0.75 ALDH1A1 (0.42) GABRA2GABRB2ALDH1A1KMT2ALMNA
SCHEMBL17222984 0.74 MAPT (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL30367277 0.73 CYP19A1 (0.43) BAZ2BBAZ2AGABRA2GABRB2ALDH1A1
SCHEMBL38663419 0.72 ALDH1A1 (0.44) WDR5BAZ2BBAZ2AGABRA2GABRB2
SCHEMBL16722756 0.72 BRD4 (0.34) ALDH1A1MAPTPDE2APDE10ASMN1; SMN2
SCHEMBL19127838 0.70 MAPT (0.44) ALDH1A1MEN1KMT2ANPSR1LMNA

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