SCHEMBL14432149

SCHEMBL14432149

NC(=O)CNCCc1cc(Br)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
USP28 Q96RU2 2/20 0.40
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL14431654 0.82 SCN3A (0.38) SCN3AMAOAMAOBRAB9AALDH1A1
SCHEMBL9955740 0.78 DGAT1 (0.46) DGAT1BRD4BRD2BRD3BRDT
SCHEMBL4453247 0.78 SCN3A (0.57) SCN3AMAOBMEN1ALDH1A1KMT2A
SCHEMBL12473692 0.76 DGAT1 (0.50) DGAT1BRD4BRD2BRD3BRDT
SCHEMBL6884493 0.76 MTNR1B (0.57)
SCHEMBL18497253 0.73
SCHEMBL14431556 0.73 TAAR1 (0.54) CA12CA1CA2NPC1RAB9A
SCHEMBL27894000 0.72 DGAT1 (0.46) DGAT1USP28BRD4BRD2BRD3
SCHEMBL5041752 0.71 TAAR1 (0.50) DGAT1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7868984 0.71 SCN3A (0.50) SCN3AMEN1ALDH1A1KMT2A

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
EP-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed