SCHEMBL5555388

SCHEMBL5555388

Fc1cc(F)cc(CN2CCC(Nc3nc(Cl)cc4sccc34)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EHMT2 Q96KQ7 4/20 0.43
OPRK1 P41145 1/20 0.42
NTSR1 P30989 1/20 0.42
MCHR1 Q99705 3/20 0.42
ACHE P22303 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.41
HTR2B P41595 1/20 0.40
NSD2 O96028 1/20 0.39

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
SCHEMBL3387024 0.86 HTT (0.50) HTTSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL5561675 0.83 HTR2B (0.61) HTTSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL3361515 0.77 HTT (0.50) HTTSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL1604201 0.77 HTT (0.75) HTTSMN1; SMN2KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL5560095 0.73 CYP1A2 (0.43) KMT2ALMNAMEN1MAPK1NSD2
SCHEMBL1604143 0.70 HTR2B (0.69) HTTSMN1; SMN2KMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL1920934 0.69 HTR2B (0.68) HTTSMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL12710367 0.69 HTT (0.77) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL2419479 0.68 SSTR5 (0.60) HTTKMT2ALMNAMAPTNPSR1
SCHEMBL2414937 0.66 SSTR5 (0.58) HTTKMT2ALMNAMAPTNPSR1

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-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed