SCHEMBL8799962

SCHEMBL8799962

O=c1n(CCc2cccs2)c(=O)n(CCc2cccs2)c(=O)n1CCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CNOT7 Q9UIV1 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL9570485 0.80 GPR84 (0.48) TAAR1HRH3MAPTHSD17B10MEN1
SCHEMBL14678488 0.77 MGLL (0.52) TAAR1HRH3MAPTHSD17B10MEN1
SCHEMBL10928551 0.76 MAPT (0.46) TAAR1HRH3MAPTHSD17B10MEN1
SCHEMBL2030841 0.75 TAAR1 (0.71) TAAR1HRH3ALDH1A1ADRA2AADRA2B
SCHEMBL6237841 0.74 HDAC1 (0.47) TAAR1HDAC1HDAC11HDAC8HDAC6
SCHEMBL2398501 0.74 GLA (0.52) MAPTHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL3615427 0.73 TAAR1 (0.52) TAAR1HRH3ALDH1A1ADRA2AADRA2B
SCHEMBL11522780 0.73 TAAR1 (0.40) TAAR1HDAC1HDAC11HDAC8HDAC6
SCHEMBL8563268 0.73 HRH3 (0.47) TAAR1HRH3ALDH1A1
SCHEMBL10159010 0.73 MAPT (0.56) TAAR1HRH3MAPTHSD17B10MEN1

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-0522956-B1 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI SA (FR) 1997-02-05 EP disclosed
EP-0522956-A2 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI (FR) 1993-01-13 EP disclosed