SCHEMBL3272702

SCHEMBL3272702

NC(=O)Oc1[nH]c2ccsc2c1Sc1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.39
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HDAC1 Q13547 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
STAT3 P40763 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GFER P55789 1/20 0.32
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3269317 0.87 MEN1 (0.36) MEN1KMT2AHPGD
SCHEMBL3268936 0.87 NPC1 (0.38) HPGDMAPK1SMN1; SMN2
SCHEMBL3270325 0.86 KDM4E (0.35) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL3270253 0.85 TUBB4A (0.31) LMNASMN1; SMN2
SCHEMBL3267800 0.85 TUBB4A (0.42) KDM4EMAPTPOLB
SCHEMBL3268931 0.84 TUBB4A (0.37) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL3268818 0.83 USP7 (0.36) TDP1
SCHEMBL3188842 0.81 PDE7A (0.41) PDE7ALMNAGAAHDAC1ALDH1A1
SCHEMBL3270359 0.81 MMP1 (0.33) HPGD
SCHEMBL3837185 0.80 GFER (0.43) LMNAALDH1A1KDM4EMAPTMEN1

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
EP-1784409-B1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2010-06-16 EP claimed