SCHEMBL4784784

SCHEMBL4784784

CC(NS(=O)(=O)c1ccc(CN2CCNCC2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
TSHR P16473 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 5/20 0.51
BDKRB1 P46663 1/20 0.48
POLB P06746 1/20 0.48
GLA P06280 1/20 0.47
CCR2 P41597 1/20 0.46
HTR6 P50406 2/20 0.45
MOGAT2 Q3SYC2 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CXCR4 P61073 1/20 0.44
DUT P33316 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
SCHEMBL4917303 0.78 CXCR4 (0.51) ITGB3ITGA2BSIGMAR1CCR2HTR6
SCHEMBL4923435 0.78 CXCR4 (0.51) ITGB3ITGA2BSIGMAR1CCR2HTR6
SCHEMBL4917311 0.78 CXCR4 (0.51) ITGB3ITGA2BSIGMAR1CCR2HTR6
SCHEMBL4743359 0.78 LMNA (0.62) ITGB3ITGA2BSIGMAR1ALDH1A1POLB
SCHEMBL4787659 0.78 ALDH1A1 (0.58) ITGB3ITGA2BSIGMAR1ALDH1A1GLA
SCHEMBL28426090 0.74 ALDH1A1 (0.73) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL3759433 0.74 ALDH1A1 (0.73) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL722275 0.73 SIGMAR1 (0.56) SIGMAR1CCR2HTR6MEN1KMT2A
SCHEMBL1287280 0.73 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL1287373 0.73 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2ALMNA

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
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed