SCHEMBL5256206

SCHEMBL5256206

CCN(CC)CCOc1cc[c]c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNA7 P36544 1/20 0.50
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
EBP Q15125 1/20 0.45
CYP1A2 P05177 1/20 0.44
LTA4H P09960 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL919955 0.82 KMT2A (0.40) MAPTKMT2ATSHRMAOBCYP1A2
SCHEMBL920483 0.80 LTA4H (0.42) MAPTKMT2ATSHRCYP1A2LTA4H
SCHEMBL920839 0.79 TSHR (0.46) KMT2ATSHRLTA4H
SCHEMBL458361 0.78 NQO1 (0.44) MAPTKMT2AKDM4ETSHRCYP1A2
SCHEMBL9700131 0.78 TSHR (0.49) TSHRLTA4H
SCHEMBL27287624 0.78 TSHR (0.49) TSHRLTA4H
SCHEMBL920552 0.78 TSHR (0.49) TSHRLTA4H
SCHEMBL921591 0.78 NCF1 (0.43) MAPTKMT2AKDM4ETSHRHTT
SCHEMBL920098 0.78 TSHR (0.49) TSHRLTA4H
SCHEMBL16741209 0.77 SYK (0.37) KDM4ECYP1A2CYP2D6CYP2C19

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-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP claimed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 WO claimed