SCHEMBL7956829

SCHEMBL7956829

C[S+]([O-])c1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.50
ILK Q13418 2/20 0.45
EPHX2 P34913 1/20 0.42
SCN4A P35499 1/20 0.42
ALOX5 P09917 1/20 0.40
NCS1 P62166 1/20 0.40
AKR1B1 P15121 4/20 0.39
AGPAT2 O15120 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL1512218 0.80 DYRK1A (0.47) DYRK1AILKPOLBKDM4EMEN1
SCHEMBL8133603 0.77 DYRK1A (0.41) DYRK1AILKEPHX2SCN4AALOX5
SCHEMBL4238354 0.76 SMN1; SMN2 (0.53) ALOX5MEN1KMT2ALMNAMAPT
SCHEMBL21048412 0.76 DYRK1A (0.45) DYRK1AILKALOX5NCS1AKR1B1
SCHEMBL9853857 0.76 POLB (0.56) DYRK1AILKEPHX2SCN4AALOX5
SCHEMBL3660267 0.75 MPL (0.33)
SCHEMBL19828320 0.74 DYRK1A (0.41) DYRK1AILKALOX5NCS1AKR1B1
SCHEMBL19828322 0.74 ILK (0.39) DYRK1AILKEPHX2SCN4AALOX5
SCHEMBL34472341 0.74 DYRK1A (0.46) DYRK1AILKEPHX2SCN4AALOX5
SCHEMBL15708155 0.74 DYRK1A (0.54) DYRK1AILKEPHX2SCN4AALOX5

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
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed