SCHEMBL3975901

SCHEMBL3975901

COc1cccc(-c2csc(N)c2C(=O)c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
MAPT P10636 5/20 0.73
HSD17B10 Q99714 3/20 0.73
LMNA P02545 2/20 0.73
PRKCZ Q05513 6/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PRKCI P41743 2/20 0.53
KCNH2 Q12809 1/20 0.53
MAPK1 P28482 2/20 0.48
HDAC2 Q92769 1/20 0.48
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
GRM6 O15303 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45

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
SCHEMBL3979210 0.89 MAPT (0.69) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL27729323 0.88 ALDH1A1 (0.79) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3973230 0.86 PRKCZ (0.60) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL5322173 0.85 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3980970 0.82 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3976445 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3976253 0.81 PRKCZ (0.50) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3975112 0.81 PRKCZ (0.50) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL689790 0.81 ALDH1A1 (0.78) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3980569 0.78 ADORA1 (0.61) ALDH1A1MAPTHSD17B10LMNAPRKCZ

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
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO claimed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed