SCHEMBL24521887

SCHEMBL24521887

CCCCN(CCO)c1ccc2c(C3=CCC=CC=C3S(=O)(=O)O)c3cc/c(=[N+](\CCO)CCCC)cc-3oc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ P2RY6 Q15077 1/20 0.32
▸ SLC6A4 P31645 5/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ APLNR P35414 1/20 0.31
▸ FPR2 P25090 2/20 0.30

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
SCHEMBL19296591 0.81 MEN1 (0.51) MEN1BLMKMT2AUSP2POLB
SCHEMBL24521830 0.74 ABCB1 (0.48) MEN1BLMKMT2AUSP2POLB
SCHEMBL19296587 0.70 MEN1 (0.62) MEN1BLMKMT2AUSP2POLB
SCHEMBL15006490 0.70 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL12259399 0.69 MEN1 (0.45) MEN1BLMKMT2AUSP2POLB
SCHEMBL12259392 0.68 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL13232603 0.67 MEN1 (0.62) MEN1BLMKMT2AUSP2POLB
SCHEMBL13295446 0.67 TGM2 (0.47) MEN1BLMKMT2AUSP2POLB
SCHEMBL13295428 0.67 TGM2 (0.47) MEN1BLMKMT2AUSP2POLB
SCHEMBL12259396 0.67 MEN1 (0.43) 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
EP-3492651-B1 INKJET TEXTILE PRINTING METHOD, COLORED COMPOSITION, INKJET INK, INK CARTRIDGE, AND DYE POLYMER FUJIFILM CORP (JP) 2022-06-22 — — EP disclosed
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