SCHEMBL7869974

SCHEMBL7869974

COCCC(=O)Nc1ccc(OCCNC2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KMT2A Q03164 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2D6 P10635 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 4/20 0.52
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46

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
Hydrochloric Acid SCHEMBL7873976 0.82 MAPT (0.59) MAPTKMT2ACYP1A2CYP2C19NPC1
SCHEMBL7862107 0.81 MAPT (0.58) MAPTKMT2ACYP1A2CYP2C19NPC1
SCHEMBL7869922 0.80 MAPT (0.56) MAPTKMT2ACYP1A2CYP2C19NPC1
SCHEMBL7866981 0.79 SMN1; SMN2 (0.65) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7868840 0.79 MAPT (0.55) MAPTKMT2ACYP1A2CYP2C19NPC1
SCHEMBL7873626 0.78 NPSR1 (0.57) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL7868846 0.77 ALDH1A1 (0.63) MAPTKMT2ACYP1A2CYP2C19NPC1
SCHEMBL5155315 0.76 MAPT (0.66) MAPTKMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2466960 0.75 KDM4E (0.87) MAPTCYP1A2CYP2C19ALDH1A1CYP2D6
SCHEMBL7868780 0.74 SMN1; SMN2 (0.61) MAPTKMT2ACYP1A2CYP2C19MEN1

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-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed