SCHEMBL6679271

SCHEMBL6679271

C(#Cc1cn[nH]c1)c1ccccc1.O=C(O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.50
HAO1 Q9UJM8 2/20 0.44
PTPN11 Q06124 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL527210 0.82 APP (0.52) HAO1MAPTMEN1NPC1RAB9A
SCHEMBL8939614 0.77 RAB9A (0.64) PTPN11MAPTMEN1NPC1RAB9A
SCHEMBL31504928 0.73 HAO1 (0.49) HAO1LMNA
SCHEMBL929848 0.71 PIM1 (0.51) ROCK2LMNAROCK1
SCHEMBL2898099 0.71
SCHEMBL9720272 0.71 ROCK2 (0.71) ROCK2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL601922 0.71 ROCK1 (0.59) ROCK2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7634 0.71 EPHX2 (0.70) MAPTNPC1RAB9AKMT2ASMN1; SMN2
Benzene SCHEMBL28162617 0.71 EPHX2 (0.70) MAPTNPC1RAB9AKMT2ASMN1; SMN2
Bromide SCHEMBL5706299 0.69 EPHX2 (0.67) MAPTNPC1RAB9AKMT2ASMN1; SMN2

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-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed