SCHEMBL4738141

SCHEMBL4738141

S=c1[nH]c(-c2ccccc2)cn1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
DBH P09172 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAP3K14 Q99558 1/20 0.38

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
SCHEMBL4736170 0.83 KMT2A (0.58) RAB9AKMT2AMEN1KDM4ERECQL
SCHEMBL4739765 0.82 RAB9A (0.46) RAB9AKMT2AMEN1KDM4ERECQL
SCHEMBL4735266 0.79 DBH (0.56) RAB9AKMT2AMEN1KDM4ERECQL
SCHEMBL4737872 0.77 KMT2A (0.51) RAB9AKMT2AMEN1KDM4ERECQL
SCHEMBL4739836 0.77 KMT2A (0.49) RAB9AKMT2AMEN1KDM4ERECQL
SCHEMBL9473724 0.75 SLC22A12 (0.47) RAB9AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4738830 0.73 KMT2A (0.61) RAB9AKMT2AMEN1KDM4ERECQL
SCHEMBL4738142 0.73 CYP11B1 (0.50) RAB9AKMT2AMEN1KDM4ERECQL
SCHEMBL9372580 0.72 RAB9A (0.50) RAB9AKMT2AMEN1KDM4ERECQL
SCHEMBL4739723 0.72 RAB9A (0.45) RAB9AKMT2AMEN1KDM4ERECQL

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