SCHEMBL30089367

SCHEMBL30089367

O=[N+]([O-])c1c[nH]c2ccc(Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MERTK Q12866 1/20 0.39
TXNRD1 Q16881 4/20 0.39
GSR P00390 3/20 0.39
TDP1 Q9NUW8 3/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL3616218 1.00 MAPT (0.39) MAPTMERTKTXNRD1GSRTDP1
SCHEMBL23612096 0.80 PDE10A (0.37) MAPTTDP1POLBL3MBTL1PDE10A
SCHEMBL30166996 0.80 PDE10A (0.37) MAPTTDP1POLBL3MBTL1PDE10A
SCHEMBL28967658 0.78 ALDH1A1 (0.37) MAPTTXNRD1TDP1POLBL3MBTL1
SCHEMBL28935509 0.76 MEN1 (0.35) MAPTL3MBTL1PDE10AALDH1A1MEN1
SCHEMBL30166982 0.76 TXNRD1 (0.47) MAPTTXNRD1GSRHTTMAPK1
SCHEMBL23166407 0.76 TXNRD1 (0.47) MAPTTXNRD1GSRHTTMAPK1
SCHEMBL30019384 0.76 MEN1 (0.35) MAPTL3MBTL1PDE10AALDH1A1MEN1
SCHEMBL29229030 0.75 PIN1 (0.41) KDM4EPIM3
SCHEMBL3169007 0.75 PDE10A (0.53) MAPTTDP1POLBL3MBTL1PDE10A

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
CN-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 CN disclosed
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed