SCHEMBL27397705

SCHEMBL27397705

C#CCn1cnc(C(F)(F)F)c(CC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.43
ADORA2B P29275 3/20 0.42
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.33
BLM P54132 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL27373108 0.84 ADORA2B (0.40) KDM5BADORA2BKDM4EMEN1NPC1
SCHEMBL27372069 0.67 ADORA2B (0.39) KDM5BADORA2BKDM4EMEN1NPC1
SCHEMBL23505916 0.66 SMN1; SMN2 (0.36) KDM5BADORA2BKDM4EMEN1NPC1
SCHEMBL8677229 0.65 KDM5B (0.37) KDM5B
SCHEMBL8960197 0.64 MAPK11 (0.40) KDM5BGLALMNA
SCHEMBL16975084 0.64 SMN1; SMN2 (0.69) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL31462150 0.61 SMN1; SMN2 (0.55) KDM4ENPC1ALDH1A1RAB9AKMT2A
SCHEMBL9378705 0.61 SMN1; SMN2 (0.55) KDM4ENPC1ALDH1A1RAB9AKMT2A
SCHEMBL16975038 0.60 SMN1; SMN2 (0.52) ADORA2BKDM4EMEN1NPC1ALDH1A1
SCHEMBL28531665 0.60 ADORA2B (0.44) ADORA2BKDM4EMEN1NPC1ALDH1A1

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