SCHEMBL7903992

SCHEMBL7903992

Nc1nc(N2CCOCC2)nn1-c1nncs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
GAA P10253 3/20 0.37
PIK3CA P42336 6/20 0.37
PIK3R1 P27986 5/20 0.37
MTOR P42345 4/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AR P10275 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4468758 0.76 LMNA (0.49) ARLMNAMAPTNPC1RAB9A
SCHEMBL7908500 0.69 PIK3CA (0.41) GAAPIK3CAPIK3R1MTORALDH1A1
SCHEMBL9258593 0.61 GAA (0.41) METGAAPIK3CAPIK3R1MTOR
SCHEMBL1458406 0.60 PIK3CA (0.54) GAAPIK3CAPIK3R1MTORALDH1A1
SCHEMBL2794053 0.60 POLB (0.58) GAAPIK3CAPIK3R1MTORALDH1A1
SCHEMBL20243714 0.60 LMNA (0.58) ARLMNAMAPTNPC1RAB9A
SCHEMBL2089785 0.60 FLT3 (0.47) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL8973821 0.60 HTT (0.63) GAAPIK3CAPIK3R1MTORALDH1A1
SCHEMBL1443593 0.60 PIK3CA (0.61) GAAPIK3CAPIK3R1MTORALDH1A1
SCHEMBL1396153 0.60 PKM (0.58) GAAPIK3CAPIK3R1MTORALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed
EP-0958294-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS GYOGYSZERGYAR (HU) 1999-11-24 EP disclosed
WO-1998030561-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS Gyógyszergyár Rt. (HU) 1998-07-16 WO disclosed