SCHEMBL7096508

SCHEMBL7096508

CCCn1c(=Nc2ccc(C(=O)OCC)cc2)sc2ncccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
MAPT P10636 6/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
USP2 O75604 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL7096507 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL7096970 0.89 MAPT (0.52) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL7096971 0.89 MAPT (0.52) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL7096458 0.88 MEN1 (0.50) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL7096459 0.88 MEN1 (0.50) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL7099357 0.87 KAT2B (0.46) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL7099355 0.87 KAT2B (0.46) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL7102653 0.84 KAT2B (0.41) SMN1; SMN2MAPTHPGDALDH1A1TDP1
SCHEMBL7102651 0.84 KAT2B (0.41) SMN1; SMN2MAPTHPGDALDH1A1TDP1
SCHEMBL7095433 0.84 KAT2B (0.49) SMN1; SMN2MAPTNPC1RAB9ACYP1A2

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