SCHEMBL11085398

SCHEMBL11085398

O=C(O)c1cnc2ccsc2c1NNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
GAA P10253 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL11086602 0.84 ALDH1A1 (0.41) MAPTGAAKMT2AALDH1A1MAPK1
SCHEMBL11084724 0.83 ALDH1A1 (0.45) MAPTNPC1LMNAGAAKMT2A
SCHEMBL11084270 0.83 MEN1 (0.37) MAPTKDM4ENPC1LMNAP4HTM
SCHEMBL11080774 0.81 NPC1 (0.42) MAPTKDM4ENPC1LMNAGAA
SCHEMBL11084914 0.81 KDR (0.46) MAPTNPC1LMNAP4HTMGAA
SCHEMBL11083402 0.78 CSNK2A1 (0.42) MAPTNPC1LMNAGAAKMT2A
SCHEMBL11092605 0.73 L3MBTL1 (0.43) KDM4ENPC1LMNAGAAKMT2A
SCHEMBL4543435 0.67 GPR35 (0.41) MAPTKDM4EGAAKMT2AALDH1A1
SCHEMBL10406124 0.67 KMT2A (0.41) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL30827844 0.67 PIP4K2C (0.64) MAPTALDH1A1HTTAURKAFLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126970-A2 Anxiolytic and anti-depressant thienopyridine derivatives BEECHAM GROUP PLC (GB) 1984-12-05 EP claimed
EP-0126970-A2 Anxiolytic and anti-depressant thienopyridine derivatives BEECHAM GROUP PLC (GB) 1984-12-05 EP disclosed