SCHEMBL10697725

SCHEMBL10697725

C=CCN1CC=C(c2csc(NC(C)=O)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 2/20 0.43
TYR P14679 1/20 0.42
HTR1F P30939 1/20 0.42
ABL1 P00519 5/20 0.41
NPC1 O15118 5/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GSTO1 P78417 1/20 0.39

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
SCHEMBL10698628 0.84 ABL1 (0.45) SMN1; SMN2KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL10697871 0.83 PARP1 (0.43) SMN1; SMN2KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL10697869 0.83 PARP1 (0.43) SMN1; SMN2KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL10699024 0.83 KMT2A (0.48) SMN1; SMN2KDM4EMAPTHPGDHTT
SCHEMBL10697362 0.83 KDM4E (0.43) SMN1; SMN2KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL10697938 0.81 TYR (0.41) SMN1; SMN2KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL10696821 0.81 MMP2 (0.52) SMN1; SMN2KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL10698234 0.78 MAPT (0.44) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL10704267 0.76 ALDH1A1 (0.50) SMN1; SMN2HSD17B10ALDH1A1MAPTHPGD
SCHEMBL10700018 0.72 DRD4 (0.44) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed