SCHEMBL13190029

SCHEMBL13190029

O=C(Nc1nc(C2=CCCC=C2)cs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.67
MEN1 O00255 9/20 0.63
KMT2A Q03164 9/20 0.63
MAPT P10636 9/20 0.63
LMNA P02545 7/20 0.63
KDM4E B2RXH2 4/20 0.59
TP53 P04637 2/20 0.56
HPGD P15428 2/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 4/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AR P10275 1/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL663770 0.86 SMN1; SMN2 (0.90) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL29978651 0.86 SMN1; SMN2 (0.90) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL662898 0.83 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL29978107 0.83 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL662004 0.83 KMT2A (0.76) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL663209 0.83 MAPT (0.90) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL29978203 0.83 MAPT (0.90) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL21376548 0.81 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL21376835 0.81 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL666388 0.78 SMN1; SMN2 (0.79) SMN1; SMN2MEN1KMT2AMAPTLMNA

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-2010101964-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS, INC (US) 2010-09-10 WO disclosed