SCHEMBL5003440

SCHEMBL5003440

CC1(C)C(=CC2=C(O)C(=O)C2=C(C#N)C#N)N(CCCCCC(=O)O)c2ccccc21.CCN(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.40
KMT2A Q03164 9/20 0.34
MEN1 O00255 7/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 8/20 0.33
HTT P42858 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL7153548 0.88 FOLH1 (0.34) FOLH1KMT2AGAATSHR
SCHEMBL17627867 0.87 LMNA (0.34) FOLH1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL5464313 0.85 MAPT (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5003871 0.80 FOLH1 (0.39) FOLH1KMT2AMEN1CYP1A2MAPT
SCHEMBL14117448 0.78 MEN1 (0.53) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL24487199 0.77 MEN1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL17627869 0.76 FOLH1 (0.34) FOLH1KMT2AGAATSHR
SCHEMBL18070586 0.74 FOLH1 (0.52) FOLH1KMT2AMEN1RAB9AMAPT
SCHEMBL5003436 0.73
SCHEMBL14117469 0.73 MEN1 (0.34) KMT2AMEN1CYP1A2CYP3A4CYP2C9

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
US-7411068-B2 Luminescent compounds SETA BIOMEDICALS, LLC 2008-08-12 US disclosed
US-20050202565-A1 Luminescent compounds SETA BIOMEDICALS, LLC 2005-09-15 US disclosed