SCHEMBL29628550

SCHEMBL29628550

COC(=O)c1nc(SCc2ccccc2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
PKM P14618 1/20 0.48
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
RNASEH1 O60930 1/20 0.43
METAP2 P50579 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FFAR1 O14842 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 5/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL20872587 1.00 L3MBTL1 (0.48) L3MBTL1PKMGAAALDH1A1TSHR
SCHEMBL10464789 0.85 L3MBTL1 (0.55) L3MBTL1PKMGAAALDH1A1TSHR
SCHEMBL20872494 0.85 ATM (0.46) L3MBTL1PKMGAAALDH1A1TSHR
SCHEMBL29628566 0.85 ATM (0.46) L3MBTL1PKMGAAALDH1A1TSHR
SCHEMBL10464790 0.84 L3MBTL1 (0.51) L3MBTL1PKMGAAALDH1A1TSHR
SCHEMBL20448138 0.82 S1PR4 (0.40) L3MBTL1PKMALDH1A1TSHRSMN1; SMN2
SCHEMBL31726517 0.82 L3MBTL1 (0.54) L3MBTL1PKMGAAALDH1A1TSHR
SCHEMBL29277594 0.80 L3MBTL1 (0.49) L3MBTL1PKMALDH1A1TSHRTDP1
SCHEMBL30713226 0.80 L3MBTL1 (0.49) L3MBTL1PKMALDH1A1TSHRTDP1
SCHEMBL22056692 0.77 L3MBTL1 (0.44) L3MBTL1PKMGAAALDH1A1TSHR

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
CN-109563057-B Sulfonamide compound or salt thereof 大鹏药品工业株式会社 2022-06-24 CN disclosed