SCHEMBL3476542

SCHEMBL3476542

Brc1ccc2oc(N3C=C4CC=CC=C4C3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 4/20 0.31
XDH P47989 1/20 0.31
XBP1 P17861 1/20 0.30
HIF1A Q16665 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
SCHEMBL3474913 0.78 FAAH (0.58) MAPTFAAH
SCHEMBL3476685 0.78 FAAH (0.59) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL3476078 0.76 FAAH (0.46) FAAH
SCHEMBL3476242 0.74 FAAH (0.44) FAAH
SCHEMBL13436639 0.66 FAAH (0.57) FAAH
SCHEMBL30611175 0.65 FAAH (0.55) PTGESMAPTFAAH
SCHEMBL21154032 0.65 FAAH (0.55) PTGESMAPTFAAH
SCHEMBL20334924 0.63 PTGES (0.39) PTGESMAPTKDM4EMEN1KMT2A
SCHEMBL30190038 0.62 RAB9A (0.59) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL1550272 0.62 RAB9A (0.59) MAPTKDM4EMEN1TSHRKMT2A

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-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed