SCHEMBL5483765

SCHEMBL5483765

CCCc1cc(Br)ccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.51
PARP1 P09874 1/20 0.42
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP15 Q460N3 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL4446190 0.87 DGAT1 (0.56) DGAT1PARP1KMT2ACYP1A2CYP2C9
SCHEMBL7424346 0.84 DGAT1 (0.58) DGAT1PARP1KMT2AMEN1CYP1A2
SCHEMBL3206015 0.84 POLB (0.47) POLBCTDSP1KMT2AMEN1CYP1A2
SCHEMBL15197077 0.84 PTGDR2 (0.44) DGAT1POLBCTDSP1KMT2AMEN1
SCHEMBL24699357 0.82 ALDH1A1 (0.38) DGAT1POLBCTDSP1KMT2AMEN1
SCHEMBL7409664 0.81 PRKCI (0.40) POLBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL22067721 0.81 MAPK8 (0.39) PARP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL2977013 0.81 HSD17B10 (0.42) PARP1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL504526 0.80 DGAT1 (0.56) DGAT1PARP1KMT2ACYP1A2CYP2C9
SCHEMBL27761984 0.80 DGAT1 (0.56) DGAT1PARP1POLBCYP1A2CYP2C9

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-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 WO disclosed