SCHEMBL7992452

SCHEMBL7992452

N=C(NC(=O)OCOC(=O)c1cccnc1)c1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.42
BLM P54132 1/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL7989211 0.85 ADRB2 (0.40) LMNAKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL7986133 0.85 ALDH1A1 (0.42) LMNATDP1KMT2AALDH1A1L3MBTL1
SCHEMBL7988757 0.76 TDP1 (0.33) TDP1ALDH1A1
SCHEMBL7985722 0.75 ALDH1A1 (0.38) LMNATDP1KMT2AALDH1A1L3MBTL1
SCHEMBL7993433 0.75 HTT (0.32) KMT2AALDH1A1BLMCYP2C19CYP1A2
SCHEMBL7988704 0.73 ALDH1A1 (0.32) KMT2AALDH1A1MAPTMEN1
SCHEMBL7992377 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7989368 0.72 ALDH1A1 (0.37) LMNATDP1KMT2AALDH1A1L3MBTL1
SCHEMBL7988689 0.71 ALDH1A1 (0.39) ALDH1A1KDM4ECYP2C9CYP2C19CYP1A2
SCHEMBL13577870 0.71 LMNA (0.59) LMNATDP1KMT2AALDH1A1L3MBTL1

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed