SCHEMBL8718653

SCHEMBL8718653

CC(=O)Nc1c(C)c2c(c(C)c1N(C)C)OC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
EZH2 Q15910 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8713582 0.89 MEN1 (0.33) MEN1KMT2APOLBTP53MAPT
SCHEMBL8716967 0.84 MEN1 (0.36) MEN1KMT2APOLBEZH2TP53
SCHEMBL8713529 0.81 MEN1 (0.34) MEN1KMT2APOLBEZH2TP53
SCHEMBL9697512 0.72
SCHEMBL8717146 0.71 KDM4E (0.33) MEN1KMT2APOLBMAPT
SCHEMBL8718704 0.69 NPSR1 (0.36) MEN1KMT2AEZH2
SCHEMBL8718408 0.69 MEN1 (0.39) MEN1KMT2APOLBEZH2
SCHEMBL8713990 0.69 KMT2A (0.41) MEN1KMT2APOLBEZH2TP53
SCHEMBL8713227 0.69 PTGS1 (0.31)
SCHEMBL8716163 0.69 ALOX5 (0.31) MEN1KMT2A

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