SCHEMBL7033287

SCHEMBL7033287

OCC=C(F)c1ccc(-c2ncc(F)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7033286 1.00 HDAC4 (0.36) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL6869730 0.83 ADRB2 (0.43) HDAC4NPC1MEN1RAB9AKMT2A
SCHEMBL6877431 0.83 ADRB2 (0.43) HDAC4NPC1MEN1RAB9AKMT2A
SCHEMBL6869726 0.83 ADRB2 (0.43) HDAC4NPC1MEN1RAB9AKMT2A
SCHEMBL7034028 0.83 RARB (0.40) NPC1MEN1RAB9AKMT2AKDM4E
SCHEMBL7034027 0.83 RARB (0.40) NPC1MEN1RAB9AKMT2AKDM4E
SCHEMBL27594251 0.79 HDAC4 (0.38) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL6879577 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL6879580 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL6879583 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2

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-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed