SCHEMBL14720114

SCHEMBL14720114

O=C(NC[C@@H]1CCNC1)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.58
NAMPT P43490 3/20 0.58
CHIT1 Q13231 1/20 0.49
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
TAAR1 Q96RJ0 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
FPR3 P25089 2/20 0.44
FPR2 P25090 2/20 0.44
MLYCD O95822 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL3035306 0.91 SMYD3 (0.56) SMYD3NAMPTCHIT1HDAC3HDAC1
SCHEMBL8255991 0.86 SMYD3 (0.58) SMYD3NAMPT
SCHEMBL17888454 0.86 SMYD3 (0.58) SMYD3NAMPTMEN1KMT2A
SCHEMBL5094284 0.85 NAMPT (0.63) SMYD3NAMPTHDAC3HDAC1HDAC2
SCHEMBL13325381 0.85 NAMPT (0.63) SMYD3NAMPTHDAC3HDAC1HDAC2
SCHEMBL13325386 0.85 NAMPT (0.63) SMYD3NAMPTHDAC3HDAC1HDAC2
SCHEMBL17886756 0.83 SMYD3 (0.56) SMYD3NAMPTALDH1A1LMNAMAPT
SCHEMBL5630219 0.83 HDAC3 (0.62) CHIT1HDAC3HDAC1HDAC2TAAR1
SCHEMBL28801038 0.83 NAMPT (0.60) SMYD3NAMPTKDM4E
SCHEMBL8257484 0.82 SMN1; SMN2 (0.55) SMYD3NAMPTALDH1A1HPGD

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-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed