SCHEMBL8712974

SCHEMBL8712974

Cc1c(C)c([N+](=O)[O-])c(C)c2c1OC(C)(C)C2c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA4 P22459 1/20 0.31
KCNA1 Q09470 1/20 0.31
KCNAB1 Q14722 1/20 0.31
HPRT1 P00492 1/20 0.31
NQO1 P15559 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8718473 0.90 ACHE (0.37) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8716319 0.87 NPSR1 (0.36) ALDH1A1HTT
SCHEMBL8713374 0.86 MEN1 (0.36) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL8716906 0.85 NPC1 (0.34) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL8718722 0.83 LPL (0.32) ALDH1A1
SCHEMBL8714404 0.81 KCNH2 (0.39)
SCHEMBL8716496 0.78 ALDH1A1 (0.38) ALDH1A1TDP1KMT2ALMNAMAPT
SCHEMBL9668101 0.77 ALOX5 (0.46) ALDH1A1TSHRMEN1KMT2ACYP2C19
SCHEMBL3599238 0.76 ALOX5 (0.33) ALDH1A1MEN1KMT2AMAPT
SCHEMBL9667333 0.74 CYP19A1 (0.40) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770772-A 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
US-5594154-A 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5478844-A Method of using aminocoumaran derivatives for treating cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP disclosed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US disclosed
CN-1071165-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-04-21 CN disclosed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed