SCHEMBL4739734

SCHEMBL4739734

COc1ccc(-n2cc(-c3ccc(C(=O)O)o3)[nH]c2=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
HPGD P15428 3/20 0.59
TP53 P04637 1/20 0.59
ALOX12 P18054 1/20 0.59
RAB9A P51151 5/20 0.58
NPC1 O15118 3/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 7/20 0.57
MAPT P10636 6/20 0.57
POLB P06746 1/20 0.57
RXFP1 Q9HBX9 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MMP13 P45452 2/20 0.46
GFER P55789 1/20 0.42
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL14147190 0.89 ALDH1A1 (0.65) KMT2AMEN1HPGDTP53ALOX12
SCHEMBL4785714 0.86 RAB9A (0.54) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL14147263 0.83 KMT2A (0.64) KMT2AMEN1HPGDTP53ALOX12
SCHEMBL4785282 0.80 KMT2A (0.50) KMT2AMEN1HPGDTP53ALOX12
SCHEMBL4736438 0.77 KMT2A (0.58) KMT2AMEN1HPGDTP53ALOX12
SCHEMBL4785836 0.75 NR4A1 (0.44) KMT2AMEN1HPGDTP53ALOX12
SCHEMBL1180051 0.75 KMT2A (1.00) KMT2AMEN1HPGDTP53ALOX12
SCHEMBL4787183 0.71 KMT2A (0.89) KMT2AMEN1HPGDTP53ALOX12
SCHEMBL4783116 0.70 ALDH1A1 (0.46) KMT2AMEN1HPGDTP53ALOX12
SCHEMBL4896906 0.70 ALDH1A1 (0.66) HPGDGAAALDH1A1MAPTKDM4E

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