SCHEMBL3358641

SCHEMBL3358641

CCc1nc(C(=O)O)c(NN)s1.CCc1nc(C(=O)O)c(NN)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KAT8 Q9H7Z6 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2477424 1.00 RAB9A (0.33) RAB9ANPC1SMN1; SMN2KAT8TLR8
SCHEMBL3358643 0.81 KDM4E (0.40) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL2474416 0.77 GABRP (0.36) RAB9ANPC1SMN1; SMN2TLR8TLR7
SCHEMBL6502840 0.74 HCAR2 (0.39) RAB9ANPC1SMN1; SMN2HCAR2GAA
SCHEMBL14773411 0.74 ALDH1A1 (0.37) RAB9ANPC1SMN1; SMN2HCAR2GAA
SCHEMBL22774382 0.74 L3MBTL1 (0.40) RAB9ANPC1HCAR2GAAMAPK1
SCHEMBL7938433 0.73 NPC1 (0.34) RAB9ANPC1SMN1; SMN2HCAR2GAA
SCHEMBL5555727 0.72 ALDH1A1 (0.33) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL2826243 0.70 GRM5 (0.48) RAB9ANPC1GAAKMT2AALDH1A1
SCHEMBL11162603 0.70 ADRA2A (0.33) RAB9ANPC1SMN1; SMN2HCAR2GAA

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-2373648-B1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
EP-2194052-A1 Substituted 1.(1-thiazolyl)- and 1-(isothiazolyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2010-06-09 EP disclosed