SCHEMBL27768288

SCHEMBL27768288

CC1Cc2cc(-c3csc(NC(=N)N)n3)ccc2N1C1(C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
MAPT P10636 9/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
HTT P42858 3/20 0.46
NR2F2 P24468 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 4/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
CYP3A4 P08684 1/20 0.39
ABL1 P00519 3/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KLK7 P49862 1/20 0.36
USP2 O75604 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
SCHEMBL27768178 0.81 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL3610538 0.80 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2HTTNR2F2
SCHEMBL3598355 0.79 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2HTTNR2F2
SCHEMBL3604493 0.78 NPC1 (0.54) ALDH1A1MAPTSMN1; SMN2HTTNR2F2
SCHEMBL3608764 0.78 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2HTTNR2F2
SCHEMBL3609848 0.71 RAB9A (0.59) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL3604832 0.71 MAPT (0.78) ALDH1A1MAPTSMN1; SMN2HTTNR2F2
SCHEMBL3607158 0.69 RAB9A (0.75) ALDH1A1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL3603474 0.69 RAB9A (0.71) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL3602577 0.69 KLK7 (0.69) ALDH1A1MAPTSMN1; SMN2LMNARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed