SCHEMBL27729323

SCHEMBL27729323

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

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.79
MAPT P10636 5/20 0.79
HSD17B10 Q99714 4/20 0.79
LMNA P02545 2/20 0.79
PRKCZ Q05513 9/20 0.57
HPGD P15428 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PRKCI P41743 2/20 0.55
KCNH2 Q12809 1/20 0.55
MAPK1 P28482 3/20 0.51
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
TSHR P16473 1/20 0.46
PTPN1 P18031 1/20 0.45
PKM P14618 1/20 0.44
EIF4E P06730 1/20 0.44

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
SCHEMBL3975901 0.88 ALDH1A1 (0.73) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL5322173 0.88 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL689790 0.84 ALDH1A1 (0.78) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL2368746 0.83 PRKCZ (0.58) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3979210 0.83 MAPT (0.69) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL1799330 0.79 KMT2A (0.69) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL12465745 0.79 HSD17B10 (0.51) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL4932598 0.79 HSD17B10 (0.51) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL12466203 0.79 HSD17B10 (0.51) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL15940127 0.78 ALDH1A1 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101351453-A Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-01-21 CN disclosed