SCHEMBL2903952

SCHEMBL2903952

CCCNc1nc2c(s1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.50
NPC1 O15118 10/20 0.50
SMN1; SMN2 Q16637 10/20 0.50
TSHR P16473 2/20 0.50
PARP1 P09874 1/20 0.47
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 8/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 4/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 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
SCHEMBL3464201 0.76 TSHR (0.51) RAB9ANPC1SMN1; SMN2TSHRPARP1
SCHEMBL19990184 0.76 TSHR (0.57) RAB9ANPC1SMN1; SMN2TSHRGRM5
SCHEMBL6700175 0.76 TSHR (0.47) RAB9ANPC1SMN1; SMN2TSHRPARP1
SCHEMBL4597102 0.76 TSHR (0.47) RAB9ANPC1SMN1; SMN2TSHRPARP1
SCHEMBL21798813 0.75 DRD3 (0.49) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL21798812 0.75 DRD3 (0.49) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL24741297 0.75 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TSHRPARP1
Hydrochloric Acid SCHEMBL6704096 0.74 TSHR (0.46) RAB9ANPC1SMN1; SMN2TSHRPARP1
Bromide SCHEMBL6703034 0.74 TSHR (0.46) RAB9ANPC1SMN1; SMN2TSHRPARP1
Bromide SCHEMBL7317103 0.74 DRD3 (0.48) RAB9ANPC1SMN1; SMN2LMNAMAPT

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-1884514-B1 METHOD FOR THE RESOLUTION OF 2-AMINO-6-PROPYLAMINO-4,5,6,7-TETRAHYDROBENZOTHIAZOL AND INTERMEDIATE COMPOUNDS CRYSTAL PHARMA SAU (ES) 2017-04-12 EP disclosed
EP-1884514-A4 METHOD FOR THE RESOLUTION OF 2-AMINO-6-PROPYLAMINO-4,5,6,7-TETRAHYDROBENZOTHIAZOL AND INTERMEDIATE COMPOUNDS RAGACTIVES SL (ES) 2010-08-04 EP disclosed
EP-1884514-A1 METHOD FOR THE RESOLUTION OF 2-AMINO-6-PROPYLAMINO-4,5,6,7-TETRAHYDROBENZOTHIAZOL AND INTERMEDIATE COMPOUNDS Ragactives, S.L. (ES) 2008-02-06 EP disclosed