SCHEMBL11629754

SCHEMBL11629754

N#Cc1cnc(-c2ccccc2Cl)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.48
PIM1 P11309 4/20 0.45
CSNK2A2 P19784 2/20 0.45
CSNK2B P67870 2/20 0.45
PIM3 Q86V86 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
PTGES O14684 2/20 0.44
LRRK2 Q5S007 1/20 0.43
GAA P10253 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
GALR3 O60755 1/20 0.41
GLA P06280 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL11629253 0.82 PTGES (0.44) PTGESGAAKDM4EALDH1A1HPGD
SCHEMBL11629965 0.82 GUCY1B2 (0.48) PTGESGAAKDM4EALDH1A1HPGD
SCHEMBL11625206 0.79 HTT (0.54) PTGESGAAKDM4EALDH1A1MAPK1
SCHEMBL11628494 0.79 MAPK1 (0.45) PTGESGAAKDM4EALDH1A1HPGD
SCHEMBL27663457 0.79 PTGES (0.41) PTGESGAAKDM4EALDH1A1HPGD
SCHEMBL3521755 0.78 RECQL (0.54) PIM1GAAKDM4EALDH1A1HPGD
SCHEMBL11625024 0.77 PDE5A (0.56) GUSBKDM4EALDH1A1HPGDMAPK1
SCHEMBL11629633 0.76 PDE5A (0.50) GUSBPTGESMAPK1
SCHEMBL11631943 0.76 MAPK1 (0.58) PTGESGAAKDM4EALDH1A1HPGD
SCHEMBL11628099 0.75 PDE5A (0.46) GUSB

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-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed