SCHEMBL7097069

SCHEMBL7097069

CCCn1c(=Nc2ccc(I)cc2)sc2ncccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
KAT2B Q92831 5/20 0.37
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
ADORA2B P29275 1/20 0.35
HPGD P15428 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TGM2 P21980 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7097067 1.00 MAPT (0.38) MAPTHTTKAT2BPOLBPKM
SCHEMBL7099355 0.90 KAT2B (0.46) MAPTHTTKAT2BPOLBPKM
SCHEMBL7099357 0.90 KAT2B (0.46) MAPTHTTKAT2BPOLBPKM
SCHEMBL7102651 0.90 KAT2B (0.41) MAPTHTTKAT2BPOLBPKM
SCHEMBL7102653 0.90 KAT2B (0.41) MAPTHTTKAT2BPOLBPKM
SCHEMBL7096932 0.89 KAT2B (0.44) MAPTHTTKAT2BPOLBPKM
SCHEMBL7096931 0.89 KAT2B (0.44) MAPTHTTKAT2BPOLBPKM
SCHEMBL7097076 0.89 KAT2B (0.46) MAPTHTTKAT2BPOLBPKM
SCHEMBL7098771 0.89 KAT2B (0.46) MAPTHTTKAT2BPOLBPKM
SCHEMBL7095433 0.87 KAT2B (0.49) MAPTKAT2BPOLBPKMADORA2B

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
EP-0878196-B1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2003-09-03 EP disclosed
US-6133258-A PYRIDOTHIAZINE DERIVATIVE; FOR TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS, PAIN, GLAUCOMA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 EP disclosed