SCHEMBL4625534

SCHEMBL4625534

Cc1cccc(S(=O)(=O)[O-])c1O.Cc1sc2ccccc2[n+]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL10868257 0.88 MAPT (0.45) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1834879 0.81 MAPT (0.40) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
Sulfuric Acid SCHEMBL28557836 0.80 MAPT (0.50) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
Lithium Ion SCHEMBL6446072 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDPKM
Potassium Ion SCHEMBL6642207 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDPKM
SCHEMBL169264 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18107070 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDPKM
SCHEMBL18107073 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDPKM
SCHEMBL9812592 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18107075 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517668-B1 GENTLE OXIDATIVE HAIR DYEING METHODS HENKEL AG & CO KGAA (DE) 2008-10-08 — — EP disclosed
EP-1758546-B1 USE OF SPECIAL POLYOLS FOR INHIBITING THE CRYSTALLIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES HENKEL KGAA (DE) 2007-09-05 — — EP disclosed
EP-1800655-A1 Use of a combination of oniumaldehydes and imidazolylalkyl-substituted p-phenylenediamine derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 2007-06-27 — — EP disclosed
EP-1220654-B1 HAIR COLORATION METHOD HENKEL KGAA (DE) 2005-12-21 — — EP disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP disclosed
Send feedback