SCHEMBL8714697

SCHEMBL8714697

CC(=O)Nc1c(C)c(C)c2c(c1N)CC(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
EZH2 Q15910 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
SCHEMBL8713529 0.89 MEN1 (0.34) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8716967 0.87 MEN1 (0.36) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8713582 0.81 MEN1 (0.33) MEN1KMT2APOLBMAPTTP53
SCHEMBL8717146 0.79 KDM4E (0.33) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8718653 0.75 MEN1 (0.33) MEN1KMT2APOLBMAPTTP53
SCHEMBL13542489 0.74 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL8716617 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8718704 0.71 NPSR1 (0.36) MEN1KMT2APTGS1PTGS2CYP1A2
SCHEMBL8718408 0.71 MEN1 (0.39) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL658195 0.71 ALDH1A1 (0.31) ALDH1A1GAA

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 6 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
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed