SCHEMBL30752128

SCHEMBL30752128

C=C(C)c1cc(Cl)nnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP1 P29466 7/20 0.33
PKM P14618 1/20 0.30

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
SCHEMBL16598336 0.79 TDP1 (0.39) TDP1LMNA
SCHEMBL105936 0.78 ALDH1A1 (0.50) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL18412050 0.76
SCHEMBL30973437 0.74 TDP1 (0.38) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL354023 0.71 ALDH1A1 (0.44) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL30833982 0.71 ALDH1A1 (0.44) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL29412881 0.71 KEAP1 (0.48) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL104396 0.71 KEAP1 (0.48) TDP1ALDH1A1LMNARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL6331781 0.70 KEAP1 (0.47) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL669037 0.70 CASP1 (0.56) TDP1ALDH1A1LMNARAB9AL3MBTL1

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-4719386-A2 5,6 SATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2026-04-08 EP disclosed
EP-4656635-A1 SUBSTITUTED BENZENE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-12-03 EP disclosed
EP-4568965-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
WO-2024249389-A2 5,6 SATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-12-05 WO disclosed
WO-2024157953-A1 SUBSTITUTED BENZENE COMPOUND 第一三共株式会社 2024-08-02 WO disclosed
WO-2024033454-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed