SCHEMBL485800

SCHEMBL485800

O=C(NC1CCCC1)c1cc(Cl)c2ccccc2c1OCc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ALOX5 P09917 8/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
EPHX2 P34913 6/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 1/20 0.44
CXCR6 O00574 1/20 0.44

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
SCHEMBL486121 0.87 MAOB (0.47) KMT2AGAAMAOBALDH1A1SMN1; SMN2
SCHEMBL485598 0.87 MAOB (0.53) KMT2AGAAMAOBALDH1A1SMN1; SMN2
Formic Acid SCHEMBL28768792 0.85 MAOB (0.45) KMT2AGAAMAOBALDH1A1SMN1; SMN2
SCHEMBL486027 0.85 MAOB (0.50) KMT2AGAAMAOBALDH1A1SMN1; SMN2
Formic Acid SCHEMBL27693206 0.84 MAOB (0.47) KMT2AGAAMAOBALDH1A1SMN1; SMN2
SCHEMBL485707 0.81 ALOX5AP (0.51) KMT2AGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL485257 0.81 EPHX2 (0.45) SMN1; SMN2ALOX5RAB9ANPC1EPHX2
SCHEMBL486258 0.81 MAOB (0.52) KMT2AMAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL485193 0.80 KDM4E (0.52) KDM4EALOX5RAB9ANPC1EPHX2
Formic Acid SCHEMBL27693254 0.80 MAOB (0.48) KMT2AMAOBALDH1A1SMN1; SMN2KDM4E

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