SCHEMBL30896332

SCHEMBL30896332

C[Si](C)(C)CCOCn1ncc2c([N+](=O)[O-])c(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.36
DGAT1 O75907 2/20 0.34
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
BRD4 O60885 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
SCHEMBL2004077 0.86 NPC1 (0.32) NPC1
SCHEMBL4718604 0.80 TDP1 (0.37) NPC1
SCHEMBL25368727 0.80 DGAT1 (0.41) F2RL1DGAT1NPC1
SCHEMBL29493823 0.80 DGAT1 (0.41) F2RL1DGAT1NPC1
SCHEMBL30896329 0.79 HPGD (0.39) NPC1
SCHEMBL25368440 0.78 DGAT1 (0.41) F2RL1DGAT1NPC1
SCHEMBL28991115 0.75 BRD4 (0.39) F2RL1DGAT1BRD4
SCHEMBL12175756 0.75 DGAT1 (0.34) DGAT1
SCHEMBL3516228 0.74 GLS (0.57) NPC1PKM
SCHEMBL2000722 0.73 ALDH1A1 (0.37)

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-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 EP disclosed
CN-120129677-A Compounds and their use for the treatment of heme lesions 百时美施贵宝公司 2025-06-10 CN disclosed
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 WO disclosed