SCHEMBL6874756

SCHEMBL6874756

COc1ccc(C)cc1NC(=S)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
MCHR1 Q99705 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
ADRA2A P08913 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6874763 1.00 LMNA (0.43) LMNASMN1; SMN2L3MBTL1THRBTDP1
SCHEMBL6872176 0.91 LMNA (0.53) LMNASMN1; SMN2L3MBTL1THRBTDP1
SCHEMBL6872189 0.91 LMNA (0.53) LMNASMN1; SMN2L3MBTL1THRBTDP1
SCHEMBL6875920 0.88 ALDH1A1 (0.59) LMNASMN1; SMN2L3MBTL1THRBTDP1
SCHEMBL6456166 0.88 ALDH1A1 (0.53) LMNASMN1; SMN2L3MBTL1THRBTDP1
SCHEMBL6456173 0.88 ALDH1A1 (0.53) LMNASMN1; SMN2L3MBTL1THRBTDP1
SCHEMBL6875914 0.88 ALDH1A1 (0.59) LMNASMN1; SMN2L3MBTL1THRBTDP1
SCHEMBL6877176 0.88 TP53 (0.47) LMNASMN1; SMN2L3MBTL1TDP1ALOX12
SCHEMBL6877168 0.88 TP53 (0.47) LMNASMN1; SMN2L3MBTL1TDP1ALOX12
SCHEMBL6457820 0.87 ALDH1A1 (0.47) LMNASMN1; SMN2THRBALOX12NPSR1

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed