SCHEMBL3344546

SCHEMBL3344546

O=C(O)c1ccccc1-c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 13/20 0.70
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
POLB P06746 4/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
NLRP3 Q96P20 1/20 0.61
ENPP2 Q13822 1/20 0.59
NSD2 O96028 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
MPI P34949 1/20 0.55
RECQL P46063 1/20 0.55
PTP4A3 O75365 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL30862543 0.93 CFTR (0.64) CFTRMEN1KMT2APOLBNPC1
SCHEMBL2215803 0.84 CFTR (0.70) CFTRMEN1KMT2APOLBNLRP3
SCHEMBL2215801 0.84 CFTR (0.70) CFTRMEN1KMT2APOLBNLRP3
SCHEMBL29665058 0.84 CFTR (0.70) CFTRMEN1KMT2APOLBNLRP3
SCHEMBL5119828 0.84 CFTR (0.70) CFTRMEN1KMT2APOLBNLRP3
SCHEMBL1885719 0.82 CFTR (1.00) CFTRMEN1KMT2ANLRP3
SCHEMBL1885717 0.82 CFTR (1.00) CFTRMEN1KMT2ANLRP3
SCHEMBL1885715 0.82 CFTR (1.00) CFTRMEN1KMT2ANLRP3
SCHEMBL21634346 0.82 CFTR (0.55) CFTRMEN1KMT2ANLRP3
SCHEMBL15827152 0.82 CFTR (0.55) CFTRMEN1KMT2ANLRP3

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-2010044103-A1 PHARMACEUTICAL COMPOSITION FOR THERAPEUTIC OR PROPHYLACTIC TREATMENT OF BACTERIAL INFECTIONS AND ASSOCIATED DISEASES NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2010-04-22 WO disclosed