SCHEMBL7988545

SCHEMBL7988545

N=C(NC(=O)Oc1ccccc1)c1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.40
FAAH O00519 1/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
S1PR3 Q99500 1/20 0.39
RAB9A P51151 2/20 0.39
RAD51 Q06609 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 2/20 0.37
THRB P10828 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7988304 0.85 SMN1; SMN2 (0.44) ALDH1A1FAAHGAALMNATP53
SCHEMBL7989521 0.85 LMNA (0.42) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL7992755 0.82 SMN1; SMN2 (0.49) ALDH1A1MAPTFAAHMEN1KMT2A
SCHEMBL7993033 0.81 RAB9A (0.48) ALDH1A1MAPTFAAHLMNAS1PR3
SCHEMBL7992609 0.81 CCNE1 (0.37) SLC1A3ALDH1A1MAPTFAAHGAA
SCHEMBL7974855 0.81 KMT2A (0.43) ALDH1A1FAAHGAAMEN1KMT2A
SCHEMBL20118384 0.81 SLC1A3 (0.44) SLC1A3ALDH1A1MAPTGAAMEN1
SCHEMBL7989503 0.80 CYP1A2 (0.40) SLC1A3ALDH1A1MAPTFAAHGAA
SCHEMBL7986303 0.80 CYP1A2 (0.43) SLC1A3ALDH1A1MAPTFAAHGAA
SCHEMBL6564601 0.80 ALDH1A1 (0.37) ALDH1A1MAPTLMNAS1PR3TDP1

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