SCHEMBL13962360

SCHEMBL13962360

CC(C)c1ccc(Nc2ccc(Nc3ccc(C(C)C)cc3)c3c2C(=O)c2c(Nc4ccc(C(C)C)cc4)ccc(Nc4ccc(C(C)C)cc4)c2C3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ NFKB1 P19838 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL13962365 0.82 TSHR (0.46) MEN1KMT2ANFKB1LMNAMAPT
SCHEMBL9309236 0.81 MAPT (0.51) MEN1KMT2ANFKB1POLBLMNA
SCHEMBL5482186 0.80 CYP3A4 (0.68) MEN1KMT2APOLBLMNAMAPT
SCHEMBL13856926 0.80 CYP3A4 (0.45) MEN1KMT2ANFKB1POLBLMNA
SCHEMBL9438085 0.78 NPC1 (0.55) MEN1KMT2APOLBLMNAMAPT
SCHEMBL10587639 0.78 LMNA (0.44) MEN1KMT2APOLBLMNAMAPT
SCHEMBL29699674 0.77 KMT2A (0.46) MEN1KMT2ANFKB1POLBLMNA
SCHEMBL3958499 0.76 NFKB1 (0.59) MEN1KMT2ANFKB1POLBLMNA
SCHEMBL29950147 0.76 NFKB1 (0.59) MEN1KMT2ANFKB1POLBLMNA
SCHEMBL13760001 0.75 LMNA (0.51) MEN1KMT2ANFKB1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090006004-A1 Method for Determining the Identity, Absence and Concentration of a Chemical Compound in a Medium BASF SE (DE) 2009-01-01 — — US disclosed
US-20090006004-A1 Method for Determining the Identity, Absence and Concentration of a Chemical Compound in a Medium BASF SE (DE) 2009-01-01 — — US disclosed
US-20080057589-A1 Method For Determining The Presence Of A Chemical Compound Which Is Homogeneously Distributed In A Medium By Means Of Cross-Correlating A Measuring Spectrum With Reference Spectra BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 — — US disclosed
US-20080057589-A1 Method For Determining The Presence Of A Chemical Compound Which Is Homogeneously Distributed In A Medium By Means Of Cross-Correlating A Measuring Spectrum With Reference Spectra BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 — — US disclosed
WO-2007074156-A1 METHOD FOR DETERMINING THE IDENTITY, ABSENCE AND CONCENTRATION OF A CHEMICAL COMPOUND IN A MEDIUM BASF SE (DE) 2007-07-05 — — WO disclosed
US-20070149415-A1 Power and lubricant additive concentrates containing at least one anthrachinone derivative as a marking substance BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 — — US disclosed
US-20070149415-A1 Power and lubricant additive concentrates containing at least one anthrachinone derivative as a marking substance BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 — — US disclosed
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