SCHEMBL23134359

SCHEMBL23134359

N#C/C(=C\c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1)S(=O)(=O)NCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 5/20 0.41
GAA P10253 4/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 3/20 0.38
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SCN9A Q15858 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GLA P06280 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL25609269 0.95 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL18220135 0.89 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL17120877 0.89 ALDH1A1 (0.42) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL18220244 0.87 ALDH1A1 (0.42) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL18221459 0.85 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL17120646 0.85 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL25611860 0.85 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL19294029 0.85 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL21226431 0.84 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL24075817 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNAMAPK1HPGD

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-2021055639-A1 METHODS OF DETECTING NEUROLOGICAL DISORDERS VIA BINDING TO PHOSPHORYLATED TAU PROTEIN SARRAF STELLA (US) 2021-03-25 WO disclosed