SCHEMBL9201902

SCHEMBL9201902

CC(=O)NCCc1ccc(C(=O)c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MAPT P10636 1/20 0.59
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.51
F13A1 P00488 1/20 0.51
EPHX2 P34913 1/20 0.50
GAA P10253 1/20 0.49
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
NAMPT P43490 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
TBXA2R P21731 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
SCHEMBL4701625 0.84 KDM4E (0.62) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3203944 0.84 KDM4E (0.70) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL48869 0.81 POLB (0.60) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL10444949 0.79 TBXAS1 (0.64) TBXA2RTBXAS1
SCHEMBL10444950 0.79 TBXAS1 (0.64) TBXA2RTBXAS1
SCHEMBL8884783 0.79 TBXAS1 (0.68) TBXA2RTBXAS1
SCHEMBL8884779 0.79 TBXAS1 (0.68) TBXA2RTBXAS1
SCHEMBL10829884 0.78 SMN1; SMN2 (0.64) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8882471 0.78 TBXAS1 (0.77) TBXA2RTBXAS1
SCHEMBL8882467 0.78 TBXAS1 (0.77) TBXA2RTBXAS1

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
EP-0397044-B1 Arylsulfonamides, medicines containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1995-12-27 EP disclosed
EP-0397044-A2 Arylsulfonamides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-11-14 EP disclosed