SCHEMBL4948565

SCHEMBL4948565

Cc1ccc(N)c(N(S)CCNC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL891297 0.83 CA1 (0.39) ALDH1A1TDP1KDM4EHPGDMAPT
SCHEMBL27952201 0.70 TTR (0.32) SMN1; SMN2TDP1HPGDTSHR
SCHEMBL7784690 0.66 TDP1 (0.43) HTTSMN1; SMN2ALDH1A1ALOX15TP53
SCHEMBL17102731 0.66 SMN1; SMN2 (0.39) HTTSMN1; SMN2ALDH1A1ALOX15TP53
SCHEMBL4388377 0.66 GUCY1A1 (0.42) HTTSMN1; SMN2ALDH1A1ALOX15TP53
SCHEMBL2840115 0.64 TDP1 (0.54) SMN1; SMN2ALDH1A1ALOX15TP53CYP3A4
SCHEMBL1341419 0.63 S100B (0.50) SMN1; SMN2ALDH1A1ALOX15TP53CYP3A4
SCHEMBL11755583 0.63 HTT (0.58) HTTSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL1339989 0.63 TDP1 (0.43) SMN1; SMN2ALDH1A1ALOX15TP53CYP3A4
SCHEMBL19088749 0.62 TDP1 (0.52) SMN1; SMN2ALDH1A1ALOX15TP53CYP3A4

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
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 EP disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO disclosed