SCHEMBL3387024

SCHEMBL3387024

Clc1cc2sccc2c(NC2CCN(Cc3cncnc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NTSR1 P30989 1/20 0.42
GBA1 P04062 1/20 0.42
POLB P06746 1/20 0.42
MCHR1 Q99705 5/20 0.42
ACHE P22303 2/20 0.41
NSD2 O96028 4/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL5555388 0.86 HTT (0.48) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL5561675 0.80 HTR2B (0.61) HTTSMN1; SMN2LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL5560095 0.73 CYP1A2 (0.43) LMNAKMT2AMEN1MAPK1NSD2
SCHEMBL1604780 0.71 HTR2B (0.65) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1605139 0.67 HTT (1.00) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL2416949 0.66 SSTR5 (0.50) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL2420375 0.65 SSTR5 (0.51) HTTLMNAMAPTKMT2AMEN1
SCHEMBL1604201 0.65 HTT (0.75) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3611907 0.64 ACHE (0.61) HTTLMNAMAPTKMT2ANPSR1
SCHEMBL2415036 0.64 SSTR5 (0.60) HTTLMNAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797099-B1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2010-08-11 EP disclosed