SCHEMBL6558315

SCHEMBL6558315

CCOC(Cn1c(-c2cccnc2)ncc(C(=O)O)c1=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
LMNA P02545 2/20 0.39
ELANE P08246 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
KCNH2 Q12809 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL6558390 0.91 NPC1 (0.46) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL6556361 0.90 MAPT (0.42) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL6556504 0.88 CSNK1D (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6557546 0.86 CTRC (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6556282 0.84 KDM4E (0.38) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6557511 0.83 P2RX3 (0.41) KMT2AALDH1A1POLBNPC1RAB9A
SCHEMBL6556234 0.83 ELANE (0.39) ALDH1A1ELANEKDM4ERXFP1
SCHEMBL6558138 0.82 KDM4E (0.50) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL6558284 0.81 KDM4E (0.53) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7292972 0.80 GABRA1 (0.43) MEN1KMT2AALDH1A1ELANEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed