SCHEMBL6890176

SCHEMBL6890176

Cc1nn(Cc2cccc(C(=O)O)c2)c(C)c1Br

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
MAPK1 P28482 2/20 0.69
ALOX15 P16050 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 3/20 0.62
MAPT P10636 2/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PLAU P00749 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
SLC22A12 Q96S37 1/20 0.45

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
SCHEMBL7055209 0.86 LMNA (0.69) LMNAMAPK1ALOX15SMN1; SMN2HTT
SCHEMBL27715515 0.77 HTT (0.56) LMNASMN1; SMN2HTTMAPTPOLB
SCHEMBL1852463 0.73 KMT2A (0.56) LMNAMAPK1ALOX15HTTALDH1A1
SCHEMBL27851630 0.73 HTT (0.47) SMN1; SMN2HTTMAPTPOLBKMT2A
SCHEMBL19951196 0.71 LMNA (0.59) LMNAMAPK1ALOX15SMN1; SMN2HTT
SCHEMBL19951198 0.71 ABHD6 (0.60) LMNAMAPK1ALOX15SMN1; SMN2MAPT
SCHEMBL29865385 0.70 HTT (0.65) HTTALDH1A1POLBKMT2ACYP2D6
SCHEMBL2360580 0.70 SMN1; SMN2 (0.47) LMNAMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL8444618 0.70 POLB (1.00) LMNAMAPK1SMN1; SMN2ALDH1A1POLB
SCHEMBL1554013 0.69 SLC22A12 (0.73) POLBKMT2AMEN1SLC22A12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed