SCHEMBL4784009

SCHEMBL4784009

COc1ccc(-n2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2=S)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM1A O60341 1/20 0.42
STS P08842 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL14146845 0.85 HRH4 (0.53) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL4738132 0.85 HPGD (0.52) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4783417 0.84 HPGD (0.51) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL14146842 0.82 AKR1C3 (0.52) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1458624 0.75 L3MBTL1 (0.73) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL28494646 0.75 MEN1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL15004819 0.73 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL5233751 0.71 L3MBTL1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL14147625 0.70 KMT2A (0.54) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4784271 0.70 KMT2A (0.57) ALDH1A1MAPTLMNASMN1; SMN2KMT2A

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-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed