SCHEMBL486273

SCHEMBL486273

O=C(NC1CCCC1)c1sc2ccccc2c1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SENP5 Q96HI0 4/20 0.56
SENP2 Q9HC62 4/20 0.56
SENP1 Q9P0U3 4/20 0.56
SLC6A5 Q9Y345 6/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SGMS2 Q8NHU3 1/20 0.44
DRD4 P21917 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 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
SCHEMBL485760 0.88 NPC1 (0.46) SENP5SENP2SENP1SLC6A5NPC1
Bicarbonate SCHEMBL485488 0.87 SENP5 (0.45) SENP5SENP2SENP1SLC6A5NPC1
SCHEMBL4634443 0.82 SENP2 (0.62) SENP5SENP2SENP1ALDH1A1
SCHEMBL485511 0.81 CXCR2 (0.62) SLC6A5MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL485085 0.80 SENP2 (0.58) SENP5SENP2SENP1
SCHEMBL485699 0.79 CXCR2 (0.62) SLC6A5MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL485458 0.79 CXCR2 (0.64) SENP5SENP2SENP1MRGPRX4
SCHEMBL485710 0.78 MRGPRX4 (0.56) SLC6A5MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL485703 0.77 MRGPRX4 (0.50) SLC6A5MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL4633569 0.77 KMT2A (0.56) SENP5SENP2SENP1MEN1ALDH1A1

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