SCHEMBL8848839

SCHEMBL8848839

CC(C)(C)C(=O)Oc1ccc(-c2nnn(Cc3ccc(N)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.60
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ELANE P08246 1/20 0.47
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL8848545 0.91 RAB9A (0.52) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848821 0.90 HDAC6 (0.54) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848405 0.90 NPC1 (0.64) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848549 0.89 TP53 (0.52) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848678 0.89 RAB9A (0.53) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848554 0.89 RAB9A (0.50) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848722 0.88 RAB9A (0.65) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848771 0.88 RAB9A (0.52) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848732 0.87 RAB9A (0.51) HDAC6RAB9ANPC1L3MBTL1LMNA
SCHEMBL8848611 0.87 RAB9A (0.49) HDAC6RAB9ANPC1L3MBTL1LMNA

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-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US disclosed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP disclosed