SCHEMBL7986864

SCHEMBL7986864

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.38
CASP1 P29466 8/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
SNCA P37840 1/20 0.34
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 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
SCHEMBL8051790 0.85 CYP3A4 (0.47) MEN1KMT2ACYP3A4CASP1CSNK2A2
SCHEMBL7985593 0.80 PLAU (0.31)
SCHEMBL7988689 0.80 ALDH1A1 (0.39) KDM4EALDH1A1HPGD
SCHEMBL7986464 0.78 MASP2 (0.40) CYP3A4CSNK2A2CSNK2A1HSD17B10KDM4E
SCHEMBL7992134 0.78 SMN1; SMN2 (0.42) MEN1KMT2ACASP1CSNK2A2CSNK2A1
SCHEMBL6564601 0.77 ALDH1A1 (0.37) HSD17B10ALDH1A1TSHRHPGDMAPT
SCHEMBL7988767 0.77 ALDH1A1 (0.35) KMT2AMAPK1ALDH1A1TSHRHPGD
SCHEMBL7988757 0.77 TDP1 (0.33) ALDH1A1
SCHEMBL7988673 0.77 TSHR (0.38) CYP3A4CASP1CSNK2A2CSNK2A1ALDH1A1
SCHEMBL482868 0.76 CYP3A4 (0.55) MEN1KMT2ACYP3A4HSD17B10KDM4E

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