SCHEMBL3356965

SCHEMBL3356965

CCCCOC(=O)N1CCC(Nc2ncnc3sc(Cl)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
PIK3CD O00329 11/20 0.47
PIK3CA P42336 9/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
HTR2B P41595 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 1/20 0.45
PIK3CB P42338 1/20 0.45

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
SCHEMBL1603977 0.83 GPR119 (0.52) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL5560085 0.81 HTR2B (0.52) PIK3CDPIK3CAKDM4EHTR2BMEN1
SCHEMBL18141879 0.71 MAPT (0.52) ALDH1A1NPC1RAB9ANOS1NOS2
SCHEMBL1604665 0.71 MEN1 (0.61) RAB9ASMN1; SMN2HTTHTR2BMEN1
SCHEMBL5850886 0.70 MEN1 (0.64) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL1604853 0.70 MEN1 (0.49) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL1604780 0.69 HTR2B (0.65) RAB9ASMN1; SMN2LMNAHTTHTR2B
SCHEMBL3345087 0.69 LMNA (0.59) ALDH1A1HSD17B10NPC1HPGDRAB9A
SCHEMBL1605075 0.69 MEN1 (0.63) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL29017063 0.69 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CG

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