SCHEMBL8439860

SCHEMBL8439860

CS(=O)(=O)NCCc1ccc(SCC(=O)O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.44
RIPK2 O43353 1/20 0.43
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
HK1 P19367 1/20 0.35
KEAP1 Q14145 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
SCHEMBL8441966 0.84 ALDH1A1 (0.52) MCL1RIPK2ALDH1A1MAPTHK1
SCHEMBL8441823 0.84 MCL1 (0.39) MCL1POLBKMT2AALDH1A1MAPT
SCHEMBL8441801 0.84 ALDH1A1 (0.55) MCL1POLBKMT2AALDH1A1MAPT
SCHEMBL8441806 0.83 TAAR1 (0.54) MCL1POLBKMT2AALDH1A1MAPT
SCHEMBL8441774 0.82 TBXAS1 (0.39) RIPK2
SCHEMBL8437945 0.82 TBXAS1 (0.39) RIPK2
SCHEMBL8441378 0.82 MCL1 (0.47) MCL1POLBKMT2AALDH1A1MAPT
SCHEMBL8438622 0.82 TBXA2R (0.59) MCL1POLBKMT2AMAPTMEN1
SCHEMBL8441413 0.81 ALDH1A1 (0.58) MCL1POLBKMT2AALDH1A1MAPT
SCHEMBL8438681 0.79 CA1 (0.53) POLBKMT2AALDH1A1MAPTMEN1

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