SCHEMBL7989211

SCHEMBL7989211

N=C(NC(=O)OCOC(=O)c1ccncc1)c1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 8/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.35
AGTR1 P30556 1/20 0.35
NAMPT P43490 1/20 0.35

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 0.87 ALDH1A1 (0.42) ADRB2ADRB1ADRB3L3MBTL1KDM4E
SCHEMBL7992452 0.85 LMNA (0.45) L3MBTL1KDM4EKMT2ACYP3A4CYP2D6
SCHEMBL7988757 0.80 TDP1 (0.33) ALDH1A1
SCHEMBL7993433 0.79 HTT (0.32) KMT2ACYP2C19ALDH1A1
SCHEMBL7992377 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7988704 0.76 ALDH1A1 (0.32) KMT2ARAB9AMEN1POLBALDH1A1
SCHEMBL7988689 0.75 ALDH1A1 (0.39) KDM4ECYP2C9CYP2C19POLBALDH1A1
SCHEMBL7988710 0.74 L3MBTL1 (0.38) L3MBTL1KDM4EKMT2ATSHRCYP3A4
SCHEMBL7985722 0.74 ALDH1A1 (0.38) ADRB2ADRB1ADRB3L3MBTL1KMT2A
SCHEMBL7992503 0.73 DGKA (0.39) L3MBTL1KDM4EKMT2ATSHRCYP3A4

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