SCHEMBL30867309

SCHEMBL30867309

COC(=O)c1c(O)ncc([N+](=O)[O-])c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
CYP2C19 P33261 2/20 0.40
ABCC4 O15439 1/20 0.40
PLIN1 O60240 1/20 0.40
CACNA1F O60840 1/20 0.40
GMNN O75496 1/20 0.40
KCNK2 O95069 1/20 0.40
ABCB11 O95342 1/20 0.40
GSR P00390 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL30562612 0.84 MAPT (0.43) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E
SCHEMBL25388587 0.84 MAPT (0.43) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E
SCHEMBL24683112 0.74 CA12 (0.40) ALDH1A1KMT2AKDM4EMAPK1TSHR
SCHEMBL18038271 0.74 MAPK1 (0.57) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL22575988 0.74 GPR35 (0.41) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E
SCHEMBL17084499 0.74 GPR35 (0.41) SMN1; SMN2ALDH1A1KMT2ATSHRTDP1
SCHEMBL1584481 0.73 TSHR (0.46) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E
SCHEMBL10473496 0.73 TSHR (0.43) ALDH1A1TSHRTDP1POLBCA1
SCHEMBL25386991 0.73 OPRK1 (0.43) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E
SCHEMBL30562742 0.73 OPRK1 (0.43) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E

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-4583867-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2025-07-16 EP disclosed
CN-119894509-A Sodium channel blocking compounds, derivatives thereof, and methods of use thereof 拉堤果生物医疗股份有限公司 2025-04-25 CN disclosed
WO-2024054622-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2024-03-14 WO disclosed