SCHEMBL7935540

SCHEMBL7935540

Cc1cccc(NC(=O)CS)c1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 4/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 2/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11996347 0.82 HPGD (0.66) MAPTALDH1A1HSD17B10HPGDALOX12
SCHEMBL27910331 0.82 MAPK1 (0.57) MAPTALDH1A1MAPK1HDAC3HDAC4
Hydrochloric Acid SCHEMBL28755176 0.77 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDMAPK1HDAC3
SCHEMBL12354757 0.76 LMNA (0.48) MAPTALDH1A1HSD17B10HPGDALOX12
SCHEMBL7924678 0.75 HSD17B10 (0.46) MAPTALDH1A1HSD17B10HPGDMAPK1
SCHEMBL3232190 0.74 HDAC1 (0.72) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22973017 0.73 CDC25B (0.49) MAPTALDH1A1HSD17B10HPGDHDAC3
SCHEMBL17931860 0.73 TGM2 (0.46) ALDH1A1HPGDRAB9ANPC1
SCHEMBL1509787 0.72 ALDH1A1 (0.51) MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL7924727 0.72 ALDH1A1 (0.46) MAPTALDH1A1HSD17B10HPGDMAPK1

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
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed