SCHEMBL7250099

SCHEMBL7250099

Cc1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ THRB P10828 2/20 0.56
▸ RECQL P46063 2/20 0.56
▸ ALDH1A1 P00352 6/20 0.53
▸ HPGD P15428 5/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ GAA P10253 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ POLB P06746 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ EIF4H Q15056 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL2004920 0.88 MAPT (0.42) MAPTTHRBRECQLALDH1A1HPGD
Water SCHEMBL9129677 0.87 MAPT (0.41) MAPTTHRBRECQLALDH1A1HPGD
Betaine SCHEMBL5676650 0.79 CYP2D6 (0.36) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL3191317 0.77 MAPT (0.74) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL4120155 0.76 MAPT (0.48) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL4830357 0.76 KDM4E (0.55) MAPTALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL7254059 0.76 KDM4E (0.53) MAPTTHRBRECQLALDH1A1HPGD
Perchlorate SCHEMBL7256390 0.74 KDM4E (0.50) MAPTTHRBALDH1A1KDM4ERXFP1
Water SCHEMBL10949547 0.73 MAPT (0.33) MAPTTHRBRECQLALDH1A1KDM4E
SCHEMBL5157599 0.71 KDM4E (0.37) MAPTTHRBRECQLKDM4EPOLB

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 4 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
US-5439786-A Negative-working emulsions comprising monodispersed, non-twinned, non-tabular silver halide crystals having a core and a shell INTERNATIONAL PAPER COMPANY (US) 1995-08-08 — — US disclosed
WO-1993010482-A2 PHOTOGRAPHIC EMULSIONS AND MATERIALS WITH REDUCED PRESSURE SENSITIVITY INTERNATIONAL PAPER COMPANY (US) 1993-05-27 — — WO disclosed
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