SCHEMBL4738142

SCHEMBL4738142

N#Cc1ccc(Cn2cc(-c3ccccc3)[nH]c2=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.50
CYP11B2 P19099 6/20 0.50
CYP19A1 P11511 5/20 0.47
KMT2A Q03164 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CXCR2 P25025 1/20 0.44
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL4784803 0.87 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1KMT2AHDAC8
SCHEMBL4736170 0.85 KMT2A (0.58) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4737872 0.82 KMT2A (0.51) KMT2AHDAC8HDAC6KDM4EMEN1
SCHEMBL4739836 0.82 KMT2A (0.49) CYP11B1CYP11B2KMT2AHDAC8HDAC6
SCHEMBL4738830 0.78 KMT2A (0.61) CYP11B1CYP11B2KMT2AKDM4EMEN1
SCHEMBL4740266 0.73 RAB9A (0.71) KMT2AKDM4EMEN1RXFP1RAB9A
SCHEMBL4738141 0.73 RAB9A (0.46) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4740547 0.73 DBH (0.53) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4739765 0.70 RAB9A (0.46) KMT2AHDAC8HDAC6KDM4EMEN1
SCHEMBL4739723 0.69 RAB9A (0.45) KMT2AKDM4EMEN1RECQLRXFP1

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