SCHEMBL8441016

SCHEMBL8441016

COc1ccc(S(=O)(=O)NCCc2cc(F)c(SCC(=O)O)c(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 2/20 0.58
AKR1C3 P42330 2/20 0.52
SGMS1 Q86VZ5 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
NSD2 O96028 1/20 0.47
G6PD P11413 1/20 0.47
CFTR P13569 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL8441413 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBAKR1C3SGMS1
SCHEMBL8438739 0.88 ALDH1A1 (0.56) ALDH1A1POLBAKR1C3MEN1RAB9A
SCHEMBL8438979 0.88 TAAR1 (0.58) ALDH1A1POLBSGMS1PKMMEN1
SCHEMBL8442601 0.86 TAAR1 (0.52) ALDH1A1AKR1C3MEN1KMT2AMCL1
SCHEMBL8437940 0.85 TBXAS1 (0.50) ALDH1A1POLBSGMS1MEN1TDP2
SCHEMBL8439475 0.85 TBXA2R (0.59) AKR1C3MEN1KMT2A
SCHEMBL8441089 0.83 CA1 (0.53) ALDH1A1MEN1RAB9AKMT2AMAPT
SCHEMBL8441823 0.79 MCL1 (0.39) ALDH1A1POLBKMT2AMCL1MAPT
SCHEMBL11113173 0.77 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBAKR1C3SGMS1
SCHEMBL8441801 0.76 ALDH1A1 (0.55) ALDH1A1POLBAKR1C3MEN1KMT2A

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
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed