SCHEMBL4737829

SCHEMBL4737829

CCN(CC)C(=O)c1cn(-c2ccc(OC)cc2)c(=S)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
HPGD P15428 4/20 0.51
MEN1 O00255 3/20 0.51
TP53 P04637 3/20 0.51
ALOX12 P18054 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GUSB P08236 1/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 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
SCHEMBL4736438 0.81 KMT2A (0.58) KMT2AHPGDMEN1TP53ALOX12
SCHEMBL4784271 0.81 KMT2A (0.57) KMT2AHPGDMEN1TP53ALOX12
SCHEMBL14147625 0.76 KMT2A (0.54) KMT2AHPGDMEN1TP53ALOX12
SCHEMBL4738132 0.75 HPGD (0.52) KMT2AHPGDMEN1TP53ALOX12
SCHEMBL4783417 0.74 HPGD (0.51) KMT2AHPGDMEN1TP53ALOX12
SCHEMBL4738824 0.73 RAB9A (0.55) KMT2AHPGDMEN1TP53ALOX12
SCHEMBL14146845 0.73 HRH4 (0.53) KMT2AHPGDMEN1TP53ALOX12
SCHEMBL14146842 0.72 AKR1C3 (0.52) KMT2AHPGDMEN1TP53ALOX12
SCHEMBL16163670 0.70 LMNA (0.49) KMT2AHPGDMEN1TP53ALDH1A1
SCHEMBL4784009 0.69 ALDH1A1 (0.48) KMT2AHPGDMEN1TP53ALOX12

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