SCHEMBL7869922

SCHEMBL7869922

COCCC(=O)Nc1ccc(OCCNC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2D6 P10635 1/20 0.56
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 1/20 0.48
ATM Q13315 1/20 0.47

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 SCHEMBL7868840 0.99 MAPT (0.55) MAPTNPC1RAB9AKMT2ACYP1A2
Hydrochloric Acid SCHEMBL7873976 0.84 MAPT (0.59) MAPTNPC1RAB9AKMT2ACYP1A2
SCHEMBL7866908 0.83 MAPT (0.50) MAPTNPC1RAB9AKMT2ACYP1A2
SCHEMBL7862107 0.83 MAPT (0.58) MAPTNPC1RAB9AKMT2ACYP1A2
SCHEMBL7873618 0.82 MEN1 (0.64) MAPTKMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL8003660 0.82 NPSR1 (0.50) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL7862182 0.82 NPC1 (0.46) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL7866950 0.82 LMNA (0.48) MAPTRAB9AKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7874134 0.81 LMNA (0.47) MAPTRAB9AKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7866916 0.81 MEN1 (0.63) MAPTKMT2ACYP1A2CYP2C19SMN1; SMN2

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