SCHEMBL12604903

SCHEMBL12604903

N=Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ PABPC1 P11940 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP3A4 P08684 3/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ BCL2 P10415 6/20 0.43
▸ CYP1A2 P05177 4/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ MCL1 Q07820 3/20 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
SCHEMBL12604897 0.80 MAPT (0.51) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL12604898 0.77 BCL2 (0.67) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL29456701 0.71 PABPC1 (0.72) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL13045522 0.71 PABPC1 (0.72) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL1514307 0.68 KMT2A (0.60) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL20835013 0.67 MAPT (0.66) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL24334669 0.66 MAPT (0.64) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL13006706 0.66 SMN1; SMN2 (1.00) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL16582580 0.66 KEAP1 (0.78) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4
SCHEMBL17322323 0.66 PABPC1 (0.64) MAPTPABPC1KDM4ESMN1; SMN2CYP3A4

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
EP-2085431-B1 Benzothioxanthene dyes with improved application and toxicological properties CLARIANT FINANCE BVI LTD (VG) 2011-06-29 — — EP disclosed
US-20090255440-A1 Benzothioxanthene dyes with improved application and toxicological properties CLARIANT INTERNATIONAL LTD. 2009-10-15 — — US disclosed
EP-2085431-A1 Benzothioxanthene dyes with improved application and toxicological properties CLARIANT INTERNATIONAL LTD. (CH) 2009-08-05 — — EP disclosed
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