SCHEMBL3385359

SCHEMBL3385359

CCc1nc(NCc2ccco2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ESR1 P03372 4/20 0.51
MAPT P10636 7/20 0.48
ALDH1A1 P00352 6/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 2/20 0.45
PLEC Q15149 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE5A O76074 1/20 0.45
REN P00797 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 4/20 0.43
HTT P42858 4/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2368077 0.88 ESR1 (0.50) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL3388141 0.87 ALDH1A1 (0.57) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL3387083 0.87 ESR1 (0.55) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL2369038 0.85 ALDH1A1 (0.59) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL3382545 0.85 ESR1 (0.71) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL2368308 0.80 MAPK1 (0.65) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL23580731 0.80 ALDH1A1 (0.60) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL31336876 0.80 ALDH1A1 (0.60) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL3386724 0.80 ESR1 (0.53) LMNASMN1; SMN2ESR1MAPTALDH1A1
SCHEMBL3383435 0.80 TNF (0.67) LMNASMN1; SMN2ESR1MAPTALDH1A1

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
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
CN-1823071-A Thienopyrimidine derivatives as potassium channel inhibitors XENTION DISCOVERY LTD (GB) 2006-08-23 CN disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO disclosed