SCHEMBL4785282

SCHEMBL4785282

COC(=O)c1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 9/20 0.49
GFER P55789 1/20 0.48
NPC1 O15118 5/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.45
MDM4 O15151 1/20 0.45
LMNA P02545 1/20 0.45
MDM2 Q00987 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP13 P45452 3/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
MMP2 P08253 1/20 0.41
MMP14 P50281 1/20 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 0.88 ALDH1A1 (0.65) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4785714 0.87 RAB9A (0.54) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL4739734 0.80 KMT2A (0.59) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4737012 0.78 GAA (0.58) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL4786957 0.78 KMT2A (0.78) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4782928 0.76 MAPT (0.43) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4739010 0.75 RAB9A (0.58) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL4783025 0.74 SMN1; SMN2 (0.41) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4785836 0.71 NR4A1 (0.44) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4739714 0.71 MMP13 (0.58) KMT2AMAPTMEN1ALDH1A1POLB

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 3 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
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