SCHEMBL4782068

SCHEMBL4782068

Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Br

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.83
LMNA P02545 5/20 0.83
SMN1; SMN2 Q16637 2/20 0.76
KDM4E B2RXH2 1/20 0.69
MAPT P10636 1/20 0.69
MCOLN3 Q8TDD5 1/20 0.66
ERAP1 Q9NZ08 2/20 0.51
NAMPT P43490 1/20 0.51
HTT P42858 2/20 0.50
KMT2A Q03164 1/20 0.50
DNMT1 P26358 1/20 0.49
CASP6 P55212 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4781525 0.91 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL23119482 0.80 LMNA (0.72) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL4781376 0.78 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL3486176 0.76 LMNA (0.80) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL30262514 0.73 ERAP1 (0.69) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL31587763 0.73 ERAP1 (0.66) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL23851169 0.73 ERAP1 (0.66) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL13006748 0.73 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2KDM4EMCOLN3
SCHEMBL10104444 0.72 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2KDM4EMCOLN3
SCHEMBL20657481 0.72 TP53 (0.67) ALDH1A1LMNASMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed