SCHEMBL5885232

SCHEMBL5885232

CC(CCn1cnc2cc(S(=O)(=O)O)ccc21)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
HDAC1 Q13547 3/20 0.37
NR1I2 O75469 4/20 0.36
PKM P14618 1/20 0.36
APAF1 O14727 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5871804 0.99 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTHSD17B10HPGD
SCHEMBL5885547 0.90 PTGDR (0.39) ALDH1A1KMT2AMAPTAPAF1TDP1
SCHEMBL1627958 0.89 PTGDR (0.39) ALDH1A1KMT2AMAPTAPAF1TDP1
SCHEMBL3837069 0.83 HDAC1 (0.51) ALDH1A1KMT2AMAPTHSD17B10HPGD
SCHEMBL5339617 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTHSD17B10HPGD
SCHEMBL28581018 0.73 TDP1 (0.53) ALDH1A1KMT2AMAPTHPGDAPAF1
Pyrrole SCHEMBL10572488 0.71 HDAC1 (0.47) ALDH1A1KMT2AMAPTHPGDHDAC1
SCHEMBL8380244 0.69 ALDH1A1 (0.36) ALDH1A1KMT2AHSD17B10HPGDHDAC1
SCHEMBL18250746 0.67 MAPT (0.46) ALDH1A1KMT2AMAPTHSD17B10HPGD
SCHEMBL8874396 0.67 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTHSD17B10HPGD

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-7040929-B2 Surfactants for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT (BE) 2006-05-09 US disclosed
US-20050053871-A1 Novel surfactants for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT N.V. (BE) 2005-03-10 US disclosed