SCHEMBL30896348

SCHEMBL30896348

Cn1ncc2cc([N+](=O)[O-])c(Oc3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
PIN1 Q13526 2/20 0.42
ATM Q13315 1/20 0.42
HPSE Q9Y251 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
HTT P42858 1/20 0.40
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL30896451 0.88 HSPB1 (0.51) HTR6ATMMAPTALDH1A1LMNA
SCHEMBL26712284 0.81 TDP1 (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL26712281 0.79 MAPT (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31613196 0.78 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10424095 0.74 MEN1 (0.55) HTR6PIN1HPSEMAPTALDH1A1
SCHEMBL23531730 0.74 MEN1 (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL29824758 0.74 MEN1 (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL16899240 0.73 GLS (0.40) ATMMAPTALDH1A1LMNAMEN1
SCHEMBL16899176 0.73 GLS (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30381820 0.73 GLS (0.43) MAPTALDH1A1LMNAMEN1KMT2A

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