SCHEMBL23680979

SCHEMBL23680979

COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccc(F)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 4/20 0.46
PKM P14618 2/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 2/20 0.42
AKR1C3 P42330 4/20 0.40
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23680976 0.78 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL3068698 0.78 PTGS2 (0.54) USP2ALDH1A1MEN1KMT2ALMNA
SCHEMBL23680978 0.76 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL475628 0.74 ALPL (0.51) MAPTSMN1; SMN2USP2ALDH1A1POLB
SCHEMBL19320830 0.73 PTGER1 (0.44) USP2ALDH1A1MEN1KMT2ALMNA
SCHEMBL475505 0.73 TTR (0.57) USP2ALDH1A1MEN1KMT2ALMNA
SCHEMBL2281070 0.73 CYP2C19 (0.70) MAPTALDH1A1PKMPOLBTSHR
SCHEMBL13543488 0.72 ALDH1A1 (0.69) MAPTSMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL3071028 0.68 TTR (0.46) USP2ALDH1A1MEN1KMT2ALMNA
SCHEMBL16195147 0.67 DHODH (0.51) SMN1; SMN2USP2ALDH1A1MEN1KMT2A

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
WO-2021150871-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISORDERS WITH RIPK1/RIPK3 INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-07-29 WO disclosed