SCHEMBL7896551

SCHEMBL7896551

Nc1nc(N2CCOCC2)nn1-c1nnc(-c2ccccc2OCCCBr)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
PIK3CB P42338 4/20 0.34
PIK3CA P42336 4/20 0.34
PIK3CD O00329 3/20 0.34
PIK3R1 P27986 3/20 0.34
AXL P30530 1/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 2/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
AGER Q15109 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7905780 0.91 HRH3 (0.40) BACE1KDM4EMEN1LMNAMAPT
SCHEMBL7908481 0.89 PIK3CB (0.44) CNR2CNR1PIK3CBPIK3CAPIK3CD
SCHEMBL7896504 0.88 HRH3 (0.39) BACE1KDM4EMEN1LMNAKMT2A
SCHEMBL7896508 0.86 HRH3 (0.41) BACE1KDM4EMEN1MAPTTSHR
SCHEMBL7908545 0.86 PRKDC (0.39) PIK3CBPIK3CAPIK3CDPIK3R1AXL
SCHEMBL7904007 0.85 USP2 (0.40) AXLBACE1KDM4EMEN1LMNA
SCHEMBL7905773 0.81 BACE1 (0.39) AXLBACE1KDM4ELMNAHSD17B10
SCHEMBL7904622 0.80 HRH3 (0.39) PIK3CBPIK3CAPIK3CDPIK3R1KDM4E
SCHEMBL7908500 0.80 PIK3CA (0.41) PIK3CAPIK3CDPIK3R1KDM4EAR
SCHEMBL7902674 0.80 HRH3 (0.40) PIK3CBPIK3CAPIK3CDPIK3R1KDM4E

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
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed