SCHEMBL7345933

SCHEMBL7345933

NC(=O)Sc1cc2c([nH]c1=O)CCc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
NOTUM Q6P988 3/20 0.38
CES1 P23141 1/20 0.37
TYMS P04818 3/20 0.36
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
GSR P00390 1/20 0.34
MIF P14174 2/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
BCAT2 O15382 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7339006 0.81 NOTUM (0.44) SRD5A1SRD5A2NOTUMCES1TYMS
SCHEMBL7345932 0.77 CES1 (0.40) SRD5A1SRD5A2NOTUMCES1TYMS
SCHEMBL7342355 0.77 CES1 (0.40) SRD5A1SRD5A2NOTUMCES1TYMS
SCHEMBL7340881 0.76 KDM4E (0.54) SRD5A1SRD5A2NOTUMCES1RAB9A
SCHEMBL7338264 0.76 TYMS (0.46) SRD5A1SRD5A2CES1TYMSRAB9A
SCHEMBL7336897 0.76 CES1 (0.44) SRD5A1SRD5A2CES1TYMSRAB9A
Hydrochloric Acid SCHEMBL7337010 0.76 CES1 (0.39) SRD5A1SRD5A2NOTUMCES1TYMS
SCHEMBL7342347 0.73 CES1 (0.44) SRD5A1SRD5A2CES1TYMSRAB9A
SCHEMBL7345410 0.72 KDM4E (0.48) SRD5A1SRD5A2CES1TYMSRAB9A
SCHEMBL7348534 0.71 NPC1 (0.53) SRD5A1SRD5A2TYMSRAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed