SCHEMBL9954720

SCHEMBL9954720

O=c1[nH]c2c([N+](=O)[O-])cc(Br)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.40
FBP1 P09467 1/20 0.39
S100A4 P26447 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ERN1 O75460 1/20 0.37
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIA1 P42261 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
SCHEMBL21048201 0.82 ALDH1A1 (0.46) GPR35GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10780521 0.75 GRM5 (0.38) GPR35MAPTLMNACYP1A2TSHR
SCHEMBL30770978 0.75 ERN1 (0.33) ERN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18152845 0.74 GPR35 (0.46) GPR35FBP1S100A4TRPV1ERN1
SCHEMBL2482652 0.73 EPHX2 (0.49) GPR35S100A4MAPTLMNACYP1A2
SCHEMBL18107837 0.73 GRM5 (0.37) LMNACYP1A2TSHRBLMGRM5
SCHEMBL15319641 0.73 KMO (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1285298 0.73 NOS1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9954750 0.73 GRM5 (0.37) GPR35LMNACYP1A2TSHRBLM
SCHEMBL9382154 0.72 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025036290-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海海和药物研究开发股份有限公司 2025-02-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed