SCHEMBL7681012

SCHEMBL7681012

CC(=O)C=Cc1cc(C)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
LMNA P02545 2/20 0.44
IAPP P10997 2/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDR P35968 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL7681007 1.00 MAPT (0.44) MAPTLMNAIAPPKMT2ANPC1
SCHEMBL14926715 0.86 GABRA1 (0.50) MAPTLMNAIAPPKMT2ANPC1
SCHEMBL11835841 0.86 PTGER3 (0.49) MAPTLMNAKMT2ANPC1RAB9A
SCHEMBL11835833 0.86 PTGER3 (0.49) MAPTLMNAKMT2ANPC1RAB9A
SCHEMBL7687333 0.84 MAPT (0.46) MAPTLMNAIAPPKMT2ANPC1
SCHEMBL7687335 0.84 MAPT (0.46) MAPTLMNAIAPPKMT2ANPC1
SCHEMBL20152957 0.82 BACE1 (0.51) MAPTLMNAIAPPKMT2ANPC1
SCHEMBL6798674 0.82 KDM4E (0.45) MAPTLMNAIAPPKMT2ANPC1
SCHEMBL6798679 0.82 KDM4E (0.45) MAPTLMNAIAPPKMT2ANPC1
SCHEMBL15826781 0.81 MAPT (0.54) MAPTLMNAIAPPKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed