SCHEMBL27397709

SCHEMBL27397709

C#CCn1cnccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2B P29275 3/20 0.37
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
USP7 Q93009 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
EIF4EBP1 Q13541 1/20 0.30
GLA P06280 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL9965999 0.74
SCHEMBL20083782 0.74
SCHEMBL19358033 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ADORA2BMAOAUSP7
SCHEMBL10436837 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ADORA2BMAPTUSP7
SCHEMBL9963196 0.69 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AUSP7
Hydrochloric Acid SCHEMBL29710261 0.69 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ADORA2BUSP7EIF4EBP1
SCHEMBL4539265 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2ADORA2BKMT2AMAPT
SCHEMBL20083825 0.69 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTKDM4EUSP7
SCHEMBL11964125 0.68 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2ADORA2BMAPTKDM4E
SCHEMBL27453621 0.68 KDM4C (0.55) ALDH1A1SMN1; SMN2MAPTKDM4E

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
CN-1084165-A 2-Arylpyrimidines and weeding thereof are used ROHM & HAAS (US) 1994-03-23 CN disclosed