SCHEMBL7815855

SCHEMBL7815855

NNC(=S)NC(=O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 6/20 0.50
ALOX12 P18054 2/20 0.50
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
RECQL P46063 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.46
HPGD P15428 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
SCHEMBL3076204 0.79 HDAC8 (0.52) RAB9ANPC1ALDH1A1ALOX12LMNA
SCHEMBL5527291 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT
SCHEMBL5515422 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT
SCHEMBL14823816 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT
SCHEMBL14823812 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT
SCHEMBL23192018 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT
SCHEMBL5511001 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT
SCHEMBL293980 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT
SCHEMBL5520084 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT
SCHEMBL5525101 0.78 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007042-A4 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN INC (US) 2001-07-04 EP disclosed
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
EP-1007042-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION Sugen, Inc. (US) 2000-06-14 EP disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 US disclosed
WO-1998056376-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-12-17 WO disclosed
US-5798374-A ADMINISTERING A 2-(5-NITROTHIAZOL-2-YL)MERCAPTO-1,2,4-TRIAZOLE DERIVATIVE TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS SUGEN INC. (US) 1998-08-25 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed