SCHEMBL30963232

SCHEMBL30963232

COc1cc(COCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ABCB1 P08183 1/20 0.44
TSHR P16473 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
CHEK1 O14757 1/20 0.43

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
SCHEMBL2029705 1.00 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL27390549 0.93 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL27856352 0.85 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL2031473 0.83 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL31224728 0.82 L3MBTL1 (0.49) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL2033918 0.82 KDM4E (0.53) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL4326387 0.82 KMT2A (0.57) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL9348632 0.82 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL2031956 0.81 KDM4E (0.56) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL4461947 0.80 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1HTTLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727652-A1 (HETERO)ARYL-SULFONAMIDE COMPOUNDS AS MODULATORS OF GPR35 ThirtyFiveBio Limited (GB) 2026-04-22 EP disclosed
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 EP disclosed
EP-4646402-A1 GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2025-11-12 EP disclosed
WO-2024256827-A1 (HETERO)ARYL-SULFONAMIDE COMPOUNDS AS MODULATORS OF GPR35 ThirtyFiveBio Limited (GB) 2024-12-19 WO disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 WO disclosed
WO-2024147009-A1 GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2024-07-11 WO disclosed