SCHEMBL7253897

SCHEMBL7253897

Cc1oc2cc3ccccc3cc2[n+]1CCCS(=O)(=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ HPGD P15428 4/20 0.55
▸ GAA P10253 1/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.45
▸ MAPT P10636 5/20 0.43
▸ THRB P10828 3/20 0.43
▸ RECQL P46063 2/20 0.43
▸ MEN1 O00255 7/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ POLB P06746 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ PABPC1 P11940 1/20 0.40
▸ EIF4H Q15056 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL7253428 0.81 MEN1 (0.63) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL8942786 0.78 MAPT (0.59) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL3188977 0.78 KDM4E (0.40) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL19461996 0.78 KDM4E (0.43) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL7254059 0.78 KDM4E (0.53) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL3181206 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL3187217 0.76 KDM4E (0.41) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL4347564 0.75 KDM4E (0.43) ALDH1A1KDM4EGAARXFP1MAPT
SCHEMBL8385263 0.75 KDM4E (0.50) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL7256433 0.71 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGAARXFP1

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-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 — — US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 — — US disclosed
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