SCHEMBL31330687

SCHEMBL31330687

Nc1c(C(=O)O)cc(Cl)nc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 1/20 0.39
GLA P06280 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SORT1 Q99523 1/20 0.35
IDO1 P14902 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34

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
SCHEMBL535620 1.00 KDM4E (0.39) KDM4ECYP3A4GLAKEAP1NFE2L2
SCHEMBL535621 0.81 KDM4E (0.41) KDM4ECYP3A4GLAGAAMAPT
SCHEMBL535587 0.81 KEAP1 (0.48) KDM4ECYP3A4KEAP1NFE2L2MAPT
SCHEMBL30232992 0.81 KEAP1 (0.48) KDM4ECYP3A4KEAP1NFE2L2MAPT
SCHEMBL25360740 0.80 CFTR (0.41) KDM4ECYP3A4GAASMN1; SMN2USP2
SCHEMBL31656690 0.80 CFTR (0.41) KDM4ECYP3A4GAASMN1; SMN2USP2
SCHEMBL536169 0.80 KDM4E (0.50) KDM4EGLAGAAMAPTALDH1A1
Potassium SCHEMBL1843363 0.79 KEAP1 (0.47) KDM4ECYP3A4KEAP1NFE2L2MAPT
SCHEMBL535611 0.78 KDM4E (0.47) KDM4ECYP3A4KEAP1NFE2L2GAA
SCHEMBL31558258 0.78 KDM4E (0.39) KDM4ECYP3A4GLAKEAP1NFE2L2

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-4720061-A1 TREM2 AGONISTS F. Hoffmann-La Roche AG (CH) 2026-04-08 EP disclosed
WO-2025101598-A1 BI-CYCLIC PYRIMIDINE COMPOUNDS, METHODS AND USES THEREOF ZENO MANAGEMENT, INC. (US) 2025-05-15 WO disclosed
WO-2024246018-A1 TREM2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2024-12-05 WO disclosed