SCHEMBL27446337

SCHEMBL27446337

CNC(=O)C(c1ccc(NS(C)(=O)=O)cc1)C(C)COc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ADRB2 P07550 6/20 0.40
ADRB1 P08588 6/20 0.40
ADRB3 P13945 6/20 0.40
FFAR2 O15552 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1D P28221 2/20 0.39
GLA P06280 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL7886297 0.81 MEN1 (0.43) MEN1KMT2APOLBLMNAKDM4E
SCHEMBL7700726 0.73 CYP2D6 (0.44) ADRB2ADRB1ADRB3CYP1A2GAA
Fumaric Acid SCHEMBL7700757 0.69 KCNH2 (0.44) CYP1A2CYP2C19
Fumaric Acid SCHEMBL7700761 0.69 KCNH2 (0.44) CYP1A2CYP2C19
SCHEMBL8213885 0.65 RORC (0.41) MEN1KMT2ALMNACYP1A2GAA
SCHEMBL21895849 0.64 MEN1 (0.54) MEN1KMT2APOLBCYP1A2GAA
SCHEMBL5159157 0.64 MEN1 (0.54) MEN1KMT2APOLBCYP1A2GAA
SCHEMBL301661 0.64 LMNA (0.70) MEN1KMT2ALMNAKDM4EADRB2
SCHEMBL21837423 0.64 HTR1D (0.53) MEN1KMT2APOLBKDM4ECYP1A2
SCHEMBL21837887 0.64 HTR1D (0.53) MEN1KMT2APOLBKDM4ECYP1A2

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
CN-1140498-C Novel antiarrhythmic compounds ҩ���о�Ժ������ҵ 2004-03-03 CN disclosed
CN-1284941-A Novel antiarrhythmic compounds PHARMACEUTICAL RES INST PUBLIC (HU) 2001-02-21 CN disclosed