SCHEMBL3797264

SCHEMBL3797264

Cc1cccc(-c2cccc(C)c2OC#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
LRRK2 Q5S007 3/20 0.37
AR P10275 1/20 0.37
CHEK1 O14757 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL27695762 0.80 HPGD (0.44) LRRK2CHEK1MAP4K4ABL1NTRK1
SCHEMBL3703224 0.76 TSHR (0.41) ARTSHRHPGDSMN1; SMN2LMNA
SCHEMBL28343710 0.75 MAOB (0.41) LRRK2CHEK1MAP4K4ABL1NTRK1
SCHEMBL20147802 0.75 ADORA1 (0.52) ADORA2AADORA1LRRK2ARCHEK1
Methane SCHEMBL28398053 0.74 TSHR (0.39) ARTSHRHPGDSMN1; SMN2LMNA
Methane SCHEMBL27546364 0.74 TSHR (0.39) ARTSHRHPGDSMN1; SMN2LMNA
SCHEMBL5025375 0.73 HTR7 (0.55) ADORA1LRRK2CHEK1MAP4K4ABL1
SCHEMBL7774109 0.71 PTGER1 (0.38) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL11422210 0.71 ACHE (0.46) ADORA1LRRK2CHEK1MAP4K4ABL1
SCHEMBL28414965 0.70 ACHE (0.55) ADORA2AADORA1LRRK2CHEK1MAP4K4

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
WO-2010054975-A1 PROCESS FOR THE DISTRIBUTION OF SILICATES IN COATING MATERIALS BASF SE (DE) 2010-05-20 WO disclosed