SCHEMBL4740547

SCHEMBL4740547

Fc1cccc(Cn2cc(-c3ccccc3)[nH]c2=S)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.53
KMT2A Q03164 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
GAA P10253 1/20 0.45
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
DPP4 P27487 1/20 0.42
APOBEC3G Q9HC16 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40

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 0.85 KMT2A (0.58) DBHKMT2ARXFP1KDM4EMEN1
SCHEMBL4739836 0.85 KMT2A (0.49) DBHKMT2ARXFP1KDM4EMEN1
SCHEMBL4737872 0.76 KMT2A (0.51) DBHKMT2ARXFP1KDM4EMEN1
SCHEMBL4738142 0.73 CYP11B1 (0.50) KMT2ARXFP1KDM4EMEN1RECQL
SCHEMBL4738830 0.73 KMT2A (0.61) KMT2ARXFP1KDM4EMEN1RECQL
SCHEMBL4739765 0.70 RAB9A (0.46) KMT2ARXFP1KDM4EMEN1RECQL
SCHEMBL4738141 0.70 RAB9A (0.46) DBHKMT2ARXFP1KDM4EMEN1
SCHEMBL4798687 0.70 BCL2L1 (0.46) DBHKMT2ARXFP1KDM4EMEN1
SCHEMBL9372580 0.69 RAB9A (0.50) KMT2ARXFP1KDM4EMEN1RECQL
SCHEMBL4739723 0.69 RAB9A (0.45) KMT2ARXFP1KDM4EMEN1RECQL

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 1 patent. 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 disclosed