SCHEMBL29604459

SCHEMBL29604459

O=S1(=O)N=C(Cl)Nc2c(-c3ccccc3Cl)cc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.40
CXCR1 P25024 3/20 0.39
NT5E P21589 1/20 0.38
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
HSD11B1 P28845 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
NPY5R Q15761 1/20 0.33
SLC40A1 Q9NP59 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
SCHEMBL22616650 1.00 CXCR2 (0.40) CXCR2CXCR1NT5ESTK10SLK
SCHEMBL29604489 0.88 NT5E (0.43) CXCR2CXCR1NT5ESTK10SLK
SCHEMBL22616579 0.88 NT5E (0.43) CXCR2CXCR1NT5ESTK10SLK
SCHEMBL22616456 0.85 CXCR2 (0.45) CXCR2CXCR1NT5ECYP2C9
SCHEMBL29604708 0.85 CXCR2 (0.45) CXCR2CXCR1NT5ECYP2C9
SCHEMBL22616454 0.84 CXCR2 (0.44) CXCR2CXCR1NT5EALDH1A1HPGD
SCHEMBL29604443 0.84 CXCR2 (0.44) CXCR2CXCR1NT5EALDH1A1HPGD
SCHEMBL22616453 0.82 CXCR2 (0.43) CXCR2CXCR1NT5ECYP2C9
SCHEMBL29604476 0.82 CXCR2 (0.43) CXCR2CXCR1NT5ECYP2C9
SCHEMBL22616552 0.81 CXCR2 (0.47) CXCR2CXCR1ALDH1A1SLC40A1

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
CN-114072393-B 3-Amino-4H-benzo [ E ] [1,2,4] thiadiazine 1, 1-dioxide derivatives as MRGX2 inhibitors 索伦特治疗有限责任公司 2025-05-27 CN disclosed
EP-3962901-A1 3-AMINO-4H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE DERIVATIVES AS INHIBITORS OF MRGX2 Solent Therapeutics, LLC (US) 2022-03-09 EP disclosed