SCHEMBL6994876

SCHEMBL6994876

NC(=S)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ACHE P22303 1/20 0.54
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
LMNA P02545 1/20 0.51
HSD17B10 Q99714 3/20 0.51
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8686938 0.95 HDAC8 (0.59) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL8686967 0.93 HDAC8 (0.61) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL6988795 0.89 ALDH1A1 (0.52) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL5041554 0.86 ALDH1A1 (0.60) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL29163024 0.83 ALDH1A1 (0.54) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL11754615 0.80 ALDH1A1 (0.62) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL28823326 0.80 ALDH1A1 (0.55) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL24687436 0.79 HDAC8 (0.69) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL608494 0.79 HDAC8 (0.69) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL607416 0.79 HDAC8 (0.69) ALDH1A1HDAC8HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709386-B1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1097920-A1 Intermediate for condensed benzazepine derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-05-09 EP disclosed
US-5834499-A TREATING GASTROINTESTINAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5723606-A Condensed benzazepine derivative and pharmaceutical composition thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed