SCHEMBL21337593

SCHEMBL21337593

C=C(C)c1cccc(NC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL14805610 0.85 TDP1 (0.41) TDP1LMNAPOLBNPSR1L3MBTL1
SCHEMBL14432031 0.81 KMT2A (0.59) TDP1LMNAPOLBNPSR1ALDH1A1
SCHEMBL8577301 0.79 TDP1 (0.49) TDP1LMNAMAPTPOLBALDH1A1
SCHEMBL2724979 0.78 NPC1 (0.55) MAPTPOLBALDH1A1
SCHEMBL13884318 0.77 ALDH1A1 (0.42) LMNAMAPTPOLBNPSR1L3MBTL1
SCHEMBL22775250 0.77 TDP1 (0.47) TDP1LMNAMAPTPOLBL3MBTL1
SCHEMBL22548989 0.76 NPSR1 (0.51) TDP1LMNAMAPTPOLBNPSR1
SCHEMBL12403825 0.76 MEN1 (0.53) NPSR1
SCHEMBL29134654 0.76 MEN1 (0.56) TDP1LMNAMAPTPOLBNPSR1
SCHEMBL10294742 0.75 HDAC8 (0.56) LMNAMAPTNPSR1ALDH1A1

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
EP-2726459-B1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2019-09-11 EP disclosed