SCHEMBL30770978

SCHEMBL30770978

O=Cc1c([N+](=O)[O-])cc2oc(=O)[nH]c2c1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL9954720 0.75 GPR35 (0.40) ERN1EPHX2CYP1A2GRIN2DGRIN3B
SCHEMBL21048201 0.70 ALDH1A1 (0.46) EPHX2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL30770947 0.70 KMO (0.44) ERN1CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL9382154 0.70 GRIN2D (0.38) EPHX2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL25260021 0.69 KMO (0.46) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30483748 0.66 KMO (0.46) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25289763 0.66 KMO (0.46) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31620373 0.66 KDM4E (0.34) ERN1CYP1A2CYP3A4MAPTTSHR
SCHEMBL2482652 0.65 EPHX2 (0.49) EPHX2CYP1A2LMNACYP3A4MAPT
SCHEMBL30771217 0.65 MAPT (0.44) ERN1CYP1A2GRIN2DGRIN3BGRIN1

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-4561563-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 EP disclosed
CN-119947718-A Tricyclic aryl derivatives, and compositions and methods thereof 昂胜医疗科技公司 2025-05-06 CN disclosed
WO-2024026129-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed