SCHEMBL3129377

SCHEMBL3129377

NC(=O)Cc1nc(Br)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
F2 P00734 1/20 0.40
SCN9A Q15858 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 2/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT1 P42224 1/20 0.32

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
SCHEMBL3124093 0.81 LMNA (0.42) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL2652124 0.78 ALDH1A1 (0.49) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL2651752 0.77 ALDH1A1 (0.51) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL2090920 0.77 RAB9A (0.59) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL21812656 0.77 LMNA (0.38) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL12492865 0.75 LMNA (1.00) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL972897 0.74 ALDH1A1 (0.49) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL25309164 0.74 MEN1 (0.49) LMNAALDH1A1MEN1SMN1; SMN2HTT
SCHEMBL29444684 0.73 ALDH1A1 (0.48) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL102234 0.73

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-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed