SCHEMBL30896451

SCHEMBL30896451

Cn1ncc2cc([N+](=O)[O-])c(Oc3ccc(F)cc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.51
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ATM Q13315 1/20 0.43
HIPK4 Q8NE63 1/20 0.41
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MERTK Q12866 1/20 0.37
LTA4H P09960 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HTR6 P50406 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL30896348 0.88 HTR6 (0.48) MAPTALDH1A1GAALMNAHTT
SCHEMBL26712284 0.79 TDP1 (0.49) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL31613179 0.79 HIPK4 (0.42) HIPK4MEN1KMT2ASCN9A
SCHEMBL26712281 0.77 MAPT (0.44) MAPTALDH1A1GAALMNAHTT
SCHEMBL30381662 0.76 GLS (0.40) MAPTALDH1A1GAALMNAHTT
SCHEMBL16899240 0.76 GLS (0.40) MAPTALDH1A1GAALMNAHTT
SCHEMBL3095955 0.75 HIPK4 (0.49) HIPK4MERTKSCN9A
SCHEMBL681119 0.74 ATM (0.54) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL23531730 0.72 MEN1 (0.41) MAPTALDH1A1GAALMNAHTT
SCHEMBL29824758 0.72 MEN1 (0.41) MAPTALDH1A1GAALMNAHTT

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