SCHEMBL486231

SCHEMBL486231

O=C(NC1CCCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.52
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
CNR2 P34972 10/20 0.44
CNR1 P21554 10/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.40
MAOB P27338 1/20 0.40
ABHD12 Q8N2K0 1/20 0.40
FAAH O00519 1/20 0.39

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
Formic Acid SCHEMBL27693212 0.96 CXCR2 (0.50) CXCR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL485710 0.88 MRGPRX4 (0.56) CXCR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL485837 0.86 ALDH1A1 (0.48) CXCR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL486088 0.86 MRGPRX4 (0.56) CXCR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL485783 0.85 MRGPRX4 (0.47) KMT2AMEN1ALDH1A1SGMS2MRGPRX4
SCHEMBL485894 0.84 CXCR2 (0.48) CXCR2KMT2AMEN1ALDH1A1SGMS2
Formic Acid SCHEMBL27693269 0.84 MRGPRX4 (0.54) CXCR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL485840 0.83 MRGPRX4 (0.47) KMT2AMEN1ALDH1A1SGMS2MRGPRX4
Formic Acid SCHEMBL27693239 0.83 CXCR2 (0.47) CXCR2KMT2AMEN1ALDH1A1SGMS2
Formic Acid SCHEMBL27693231 0.83 MRGPRX4 (0.45) KMT2AMEN1ALDH1A1SGMS2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP claimed