SCHEMBL686485

SCHEMBL686485

CC1(N)NNC=C1c1nc2ccc(CN3CCOCC3)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 5/20 0.59
CA2 P00918 1/20 0.40
APP P05067 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NCF1 P14598 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36

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
SCHEMBL687334 0.75 ILK (0.77) ILKCA2APPSMN1; SMN2HTT
SCHEMBL17747833 0.74 RAB9A (0.61) ILKCA2SMN1; SMN2MAPTNPC1
SCHEMBL17859472 0.74 ILK (0.61) ILKCA2SMN1; SMN2HTTKDM4E
SCHEMBL3468695 0.67 HRH3 (0.56) ILKSMN1; SMN2HTTHPGDHRH3
SCHEMBL21256934 0.65 MAPT (0.53) ILKAPPSMN1; SMN2KDM4EALDH1A1
SCHEMBL677874 0.65 ILK (0.76) ILKHRH3
SCHEMBL3468573 0.65 HRH3 (0.82) ILKSMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL31428715 0.65 HRH3 (0.49) ILKCA2SMN1; SMN2HTTHRH3
SCHEMBL34471642 0.65 HRH3 (0.49) ILKCA2SMN1; SMN2HTTKDM4E
SCHEMBL686551 0.64 ILK (0.76) ILK

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-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed