SCHEMBL4728979

SCHEMBL4728979

N#Cc1ccc(O)cc1NC1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.49
PRKCD Q05655 8/20 0.43
CHUK O15111 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIM1 P11309 1/20 0.35
ESR2 Q92731 1/20 0.35
HSP90AA1 P07900 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL12820476 0.84 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL4580373 0.84 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL3632100 0.84 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL4581365 0.84 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL12820379 0.84 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL14252159 0.84 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL3632098 0.84 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL3626121 0.81 PRKCQ (0.46) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL8145441 0.81 PRKCQ (0.46) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL4725141 0.80 PRKCQ (0.52) PRKCQPRKCDCHUKKMT2AL3MBTL1

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-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed