SCHEMBL8948550

SCHEMBL8948550

CC1(C)Oc2c(ccc(Cl)c2N)C1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.33
ADORA2A P29274 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 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
SCHEMBL8948579 0.74 ADORA2A (0.40) CES1ADORA2AMAPTMEN1NPC1
SCHEMBL8948553 0.72 HTR6 (0.33) ALDH1A1
SCHEMBL8948586 0.71 TYMS (0.40) ADORA2AMAPTMEN1ALDH1A1POLB
SCHEMBL659806 0.69 ESR1 (0.42) ALDH1A1POLBRECQLTDP1
SCHEMBL13742725 0.66 CA1 (0.42) MEN1ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL5080247 0.64 CA1 (0.42) MAPTMEN1ALDH1A1POLBTHRB
SCHEMBL8652048 0.64 TYMS (0.40) MAPTALDH1A1TDP1
SCHEMBL29922025 0.64 ALDH1A1 (0.37) MAPTMEN1NPC1ALDH1A1POLB
SCHEMBL658119 0.63 ESR1 (0.33)
SCHEMBL8390696 0.63 PKM (0.39) MAPTALDH1A1PKM

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed