SCHEMBL21886953

SCHEMBL21886953

Cc1sn(-c2ccc(CCC(=O)OCc3ccccc3)cc2)c(=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
KAT2B Q92831 1/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
RAB9A P51151 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL21814501 0.89 TDP1 (0.46) TDP1KAT2BMAPTMAPK1L3MBTL1
SCHEMBL21814457 0.80 KAT2B (0.48) TDP1KAT2BMAPTMAPK1L3MBTL1
SCHEMBL21814458 0.76 KAT2B (0.50) TDP1KAT2BMAPTLMNAMAPK1
SCHEMBL305162 0.74 MAPT (0.68) TDP1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL26023562 0.74 MAPT (0.68) TDP1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL28450115 0.74 TDP1 (0.64) TDP1MAPTMAPK1L3MBTL1KDM4E
SCHEMBL304176 0.74 TDP1 (0.78) TDP1MAPTLMNAMAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL28588274 0.72 TDP1 (0.75) TDP1MAPTLMNAMAPK1L3MBTL1
Bicarbonate SCHEMBL7699565 0.72 TDP1 (0.75) TDP1MAPTLMNAMAPK1L3MBTL1
SCHEMBL28207503 0.72 TDP1 (0.75) TDP1MAPTLMNAMAPK1L3MBTL1

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-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO disclosed