SCHEMBL8604306

SCHEMBL8604306

CCCCN(CCCC)c1nc(C(C)(C)C)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
CCR4 P51679 4/20 0.35
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
UCHL1 P09936 1/20 0.33
ATP4A P20648 4/20 0.33
ATP4B P51164 4/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CRHR1 P34998 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL31264247 0.90 ALDH1A1 (0.67) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL4743183 0.82 ALDH1A1 (0.61) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL17147861 0.78 ALDH1A1 (0.47) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL7518107 0.78 ALDH1A1 (0.39) ALDH1A1ALPLALPICCR4ATP4A
SCHEMBL7062991 0.75 MEN1 (0.47) ALDH1A1CCR4LMNAATP4AATP4B
SCHEMBL13879832 0.72 CRHR1 (0.39) ALDH1A1LMNASMN1; SMN2ATP4AATP4B
SCHEMBL13658019 0.72 ALDH1A1 (0.53) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL18674687 0.72 SLC29A1 (0.37) ALDH1A1ALPLALPILMNASMN1; SMN2
SCHEMBL8137225 0.70 RAB9A (0.52) ALDH1A1HTR1AHTR2AHTR7LMNA
SCHEMBL18674617 0.70 MEN1 (0.38) ALDH1A1ALPLALPILMNAATP4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789560-A DIFFUSION TRANSFER; PRINTING OR DYEING SYNTHETIC MATERIAL BASF AKTIENGESELLSCHAFT (DE) 1998-08-04 US disclosed
EP-0773976-B1 AZO DYES HAVING A COUPLING COMPONENT FROM THE AMINOTHIAZOLE SERIES BASF AG (DE) 1998-06-17 EP disclosed
CN-1157003-A Azo dyes having coupling component from aminothiazole series BASF AG (DE) 1997-08-13 CN disclosed
EP-0773976-A1 AZO DYES HAVING A COUPLING COMPONENT FROM THE AMINOTHIAZOLE SERIES BASF AKTIENGESELLSCHAFT (DE) 1997-05-21 EP disclosed
WO-1996003462-A1 AZO DYES HAVING A COUPLING COMPONENT FROM THE AMINOTHIAZOLE SERIES BASF AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed