SCHEMBL7360272

SCHEMBL7360272

CCCCS(=O)(=O)Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
RIPK2 O43353 7/20 0.48
NOD2 Q9HC29 7/20 0.48
ACVR1 Q04771 6/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
AR P10275 1/20 0.45
ADRB1 P08588 1/20 0.44
CETP P11597 1/20 0.43
NAMPT P43490 1/20 0.42
ALOX12 P18054 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL18553802 0.87 HTR6 (0.61) HTR6LMNAHPGDRIPK2NOD2
SCHEMBL5851742 0.78 HTR6 (0.64) HTR6LMNARIPK2NOD2ACVR1
Hydrochloric Acid SCHEMBL7001932 0.77 HTR6 (0.62) HTR6LMNARIPK2NOD2ACVR1
SCHEMBL14356050 0.76 PARP14 (0.45) HTR6LMNAADRB1BRD4
SCHEMBL8781158 0.76 HTR6 (0.61) HTR6LMNARIPK2NOD2ACVR1
SCHEMBL7364830 0.75 TGFBR1 (0.54) LMNAALDH1A1NAMPT
SCHEMBL9502908 0.74 HPGD (0.52) LMNAHPGDKDM4EALDH1A1AR
SCHEMBL9156206 0.73 HPGD (0.60) LMNAHPGDKDM4EALDH1A1AR
SCHEMBL10192137 0.73 HPGD (0.60) LMNAHPGDKDM4EALDH1A1AR
SCHEMBL9742229 0.71 ADRB1 (0.56) HTR6LMNAKDM4EALDH1A1ADRB1

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-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed