SCHEMBL17265451

SCHEMBL17265451

CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c3cc/c(=[N+](\C)CC)cc-3oc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.66
▸ BLM P54132 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ USP2 O75604 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ PPARG P37231 1/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.66
▸ NCOR2 Q9Y618 1/20 0.66
▸ CHRM1 P11229 1/20 0.46
▸ THRB P10828 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SLC6A4 P31645 8/20 0.42
▸ SLC6A2 P23975 4/20 0.42
▸ SLC6A3 Q01959 4/20 0.42
▸ AVPR2 P30518 2/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ APLNR P35414 2/20 0.41
▸ TGM2 P21980 1/20 0.40

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
SCHEMBL5712581 0.92 MEN1 (0.77) MEN1BLMKMT2AUSP2POLB
SCHEMBL17267894 0.91 MEN1 (0.76) MEN1BLMKMT2AUSP2POLB
Water SCHEMBL185914 0.91 MEN1 (0.76) MEN1BLMKMT2AUSP2POLB
SCHEMBL29569925 0.91 MEN1 (0.79) MEN1BLMKMT2AUSP2POLB
Water SCHEMBL7715723 0.90 MEN1 (0.75) MEN1BLMKMT2AUSP2POLB
SCHEMBL456818 0.90 MEN1 (0.64) MEN1BLMKMT2AUSP2POLB
SCHEMBL31011004 0.87 MEN1 (0.87) MEN1BLMKMT2AUSP2POLB
SCHEMBL31011003 0.87 MEN1 (0.87) MEN1BLMKMT2AUSP2POLB
SCHEMBL19661354 0.87 MEN1 (0.75) MEN1BLMKMT2AUSP2POLB
SCHEMBL29352150 0.87 MEN1 (0.87) MEN1BLMKMT2AUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329807-A1 Unit Dose Detergent Compositions THE SUN PRODUCTS CORPORATION (US) 2015-11-19 — — US disclosed
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