SCHEMBL8186366

SCHEMBL8186366

CCCc1ccc(C=C2SC(=O)NC2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.77
PIM2 Q9P1W9 10/20 0.77
IGF1R P08069 1/20 0.77
HPGD P15428 4/20 0.67
CISD1 Q9NZ45 1/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
MYC P01106 1/20 0.60
MAX P61244 1/20 0.60
PIM3 Q86V86 1/20 0.60
ALOX15 P16050 1/20 0.59
PTGS2 P35354 1/20 0.59
AKR1B1 P15121 2/20 0.58
GSK3B P49841 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58

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
SCHEMBL8186364 1.00 PIM1 (0.77) PIM1PIM2IGF1RHPGDCISD1
SCHEMBL2539569 0.87 PIM1 (1.00) PIM1PIM2IGF1RHPGDCISD1
SCHEMBL2539573 0.87 PIM1 (1.00) PIM1PIM2IGF1RHPGDCISD1
SCHEMBL2539566 0.87 PIM1 (1.00) PIM1PIM2IGF1RHPGDCISD1
SCHEMBL12107430 0.80 HPGD (1.00) PIM1PIM2IGF1RHPGDCISD1
SCHEMBL1250116 0.79 PIM1 (0.69) PIM1PIM2IGF1RHPGDCISD1
SCHEMBL1250117 0.79 PIM1 (0.69) PIM1PIM2IGF1RHPGDCISD1
SCHEMBL7974643 0.79 MMP3 (0.75) HPGDRAB9ANPC1MYCMAX
SCHEMBL4049595 0.79 MMP3 (0.75) HPGDRAB9ANPC1MYCMAX
SCHEMBL8186874 0.78 MEN1 (0.57) PIM1PIM2IGF1RHPGDCISD1

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
WO-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed