SCHEMBL5511511

SCHEMBL5511511

CCC(Nc1ccccn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
FDPS P14324 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
PIM1 P11309 1/20 0.45
ADORA2A P29274 1/20 0.45

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
SCHEMBL29416424 1.00 ALDH1A1 (0.51) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL5509024 0.88 MME (0.50) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL9600519 0.85 GAA (0.50) FDPSGAAPOLBNPC1RAB9A
SCHEMBL9600527 0.85 GAA (0.50) FDPSGAAPOLBNPC1RAB9A
SCHEMBL6657106 0.84 FDPS (0.49) FDPSGAAPOLBNPC1RAB9A
SCHEMBL5828232 0.84 FDPS (0.49) FDPSGAAPOLBNPC1RAB9A
SCHEMBL1925943 0.84 FDPS (0.43) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL27796160 0.83 ALDH1A1 (0.48) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL27796157 0.83 ALDH1A1 (0.48) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL5939834 0.83 L3MBTL1 (0.59) ALDH1A1FDPSGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591422-A Cystine knot scaffold platform 豪夫迈·罗氏有限公司 2022-06-07 CN disclosed
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed