SCHEMBL485707

SCHEMBL485707

O=C(NC1CCCC1)c1cc(Cl)c2ccccc2c1OCc1ccc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
RAB9A P51151 2/20 0.47
ALOX5 P09917 4/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CXCR6 O00574 1/20 0.45
MCHR1 Q99705 1/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
THRB P10828 1/20 0.42

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 SCHEMBL27713056 0.95 ALOX5AP (0.48) ALOX5APGAAKMT2ACNR1CNR2
Formic Acid SCHEMBL27693208 0.85 ALOX5AP (0.51) ALOX5APGAAKMT2ACNR1CNR2
SCHEMBL485800 0.81 KMT2A (0.49) GAAKMT2ARAB9AALOX5SMN1; SMN2
SCHEMBL485826 0.81 MRGPRX4 (0.51) GAAKMT2ALMNAMAPT
SCHEMBL485373 0.81 CXCR2 (0.47) ALOX5AP
SCHEMBL485362 0.81 CXCR2 (0.49) ALOX5APKMT2AKDM4EALDH1A1LMNA
SCHEMBL27713055 0.80 ALOX5AP (0.44) ALOX5APKMT2AKDM4EALDH1A1LMNA
SCHEMBL485638 0.79 KDM4E (0.53) ALOX5APKMT2AKDM4EALDH1A1LMNA
SCHEMBL485827 0.79 MAOB (0.47) ALOX5APKMT2ACNR1CNR2RAB9A
Bicarbonate SCHEMBL485659 0.77 ALOX5 (0.48) ALOX5APKMT2ARAB9AALOX5HDAC6

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