SCHEMBL8520116

SCHEMBL8520116

COC(=O)CCC1CN(c2ccc3c(c2)CCCC3=NO)C(=O)N1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 5/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSG P08311 2/20 0.32
CMA1 P23946 2/20 0.32
CACNA1G O43497 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 2/20 0.31
GAA P10253 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
TBXA2R P21731 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL8577383 0.95 MAPT (0.36) L3MBTL1MAPTMAPK1ALDH1A1CTSG
SCHEMBL8575396 0.82 CTSG (0.36) L3MBTL1ALDH1A1CTSGCMA1CACNA1G
SCHEMBL8415372 0.80 OPRD1 (0.39) CTSGCMA1
Hydrochloric Acid SCHEMBL8576436 0.79 OPRD1 (0.39) CTSGCMA1
SCHEMBL8417042 0.78 CTSG (0.35) CTSGCMA1CACNA1GTBXA2RPTGER4
Hydrochloric Acid SCHEMBL8571507 0.77 CTSG (0.34) CTSGCMA1CACNA1GTBXA2RPTGER4
Hydrochloric Acid SCHEMBL8573565 0.76 CTSG (0.39) L3MBTL1ALDH1A1CTSGCMA1TSHR
SCHEMBL8559521 0.76 TMEM97 (0.39) CTSGCMA1
SCHEMBL8563033 0.75 HTR6 (0.45) L3MBTL1ALDH1A1CTSGCMA1TSHR
Hydrochloric Acid SCHEMBL8563489 0.75 TMEM97 (0.38) CTSGCMA1

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
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed