SCHEMBL9005129

SCHEMBL9005129

COc1cnnc(Oc2ccnc(OCC(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
L3MBTL1 Q9Y468 6/20 0.34
MAPK1 P28482 2/20 0.34
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP4A P20648 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP4B P51164 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL9005132 0.88 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5CCR1
SCHEMBL9005135 0.84 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5CCR1
SCHEMBL22621570 0.83 CCR1 (0.48) CCR1CCR5CCR8L3MBTL1ATP1A1
SCHEMBL9005033 0.80 CYP11B1 (0.36) HDAC1HDAC8HDAC6HDAC5CCR1
SCHEMBL9005117 0.79 F2RL3 (0.36) HDAC1HDAC8HDAC6HDAC5CCR1
SCHEMBL9005032 0.79 RAB9A (0.42) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL4182663 0.75 MAPT (0.46) L3MBTL1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL8932310 0.75 MAPT (0.50) L3MBTL1MAPK1KDM4EMAPTALDH1A1
SCHEMBL9005161 0.74 CCR1 (0.34) HDAC1HDAC8HDAC6HDAC5CCR1
SCHEMBL12093582 0.74 LOX (0.46) CCR1CCR5CCR8ATP1A1ATP1B1

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
US-5484761-A PRE OR POSTEMERGENT HERBICIDES MONSANTO COMPANY (US) 1996-01-16 US claimed