SCHEMBL6556504

SCHEMBL6556504

CCOC(Cn1c(-c2ccncc2)ncc(C(=O)O)c1=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.37
CDC7 O00311 3/20 0.37
DBF4 Q9UBU7 2/20 0.37
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
KDM6B O15054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TP53 P04637 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
SCHEMBL6556361 0.91 MAPT (0.42) NFKB1NFKB2RELAKDM4EALDH1A1
SCHEMBL6556112 0.90 CSNK1D (0.45) CSNK1DCDC7DBF4FOSJUN
SCHEMBL6556282 0.90 KDM4E (0.38) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL6558315 0.88 MEN1 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6557511 0.88 P2RX3 (0.41) FOSJUNNFKB1NFKB2RELA
SCHEMBL6556234 0.88 ELANE (0.39) FOSJUNNFKB1NFKB2RELA
SCHEMBL6558138 0.87 KDM4E (0.50) FOSJUNNFKB1NFKB2RELA
SCHEMBL6557546 0.84 CTRC (0.42) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL6558245 0.84 MAPT (0.40) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL7152432 0.82 MAPT (0.41) KDM4EALDH1A1MEN1KMT2ANPSR1

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