SCHEMBL7989368

SCHEMBL7989368

N=C(NC(=O)OCOC(=O)c1ccccc1)c1cc[c]cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
HIF1A Q16665 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PKM P14618 2/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7986133 0.83 ALDH1A1 (0.42) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL7975327 0.82 LMNA (0.44) KMT2ALMNAL3MBTL1POLBMAPT
SCHEMBL7989755 0.81
SCHEMBL7990319 0.79 SMN1; SMN2 (0.38) ALDH1A1MAPK1TSHRPOLBGAA
SCHEMBL7975913 0.78 CCNE1 (0.37) ALDH1A1TDP1KMT2ALMNAPOLB
SCHEMBL7985722 0.78 ALDH1A1 (0.38) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL7974849 0.77 SMN1; SMN2 (0.35) ALDH1A1KMT2AMAPK1LMNAL3MBTL1
SCHEMBL7975476 0.75 RAB9A (0.40) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL7988294 0.74 LMNA (0.37) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL7989211 0.73 ADRB2 (0.40) ALDH1A1KMT2ALMNAADRB2ADRB1

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