SCHEMBL29953070

SCHEMBL29953070

OB(O)c1ccccc1CSc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ENPP2 Q13822 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
DHFR P00374 1/20 0.42
ALPG P10696 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CXCR2 P25025 3/20 0.38
LIPG Q9Y5X9 1/20 0.38
GRM5 P41594 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2553614 0.83 DHFR (0.39) SLC6A2SLC6A4SLC6A3ENPP2TDP1
SCHEMBL29953599 0.79 MTNR1A (0.49) ENPP2DHFRALDH1A1LMNAMAOA
SCHEMBL15331471 0.79 CXCR2 (0.40) L3MBTL1MEN1ALDH1A1KMT2ACXCR2
SCHEMBL2553795 0.77 LIPG (0.39) MAPTL3MBTL1ALDH1A1LMNACXCR2
SCHEMBL28104581 0.76 QRFPR (0.45) SLC6A2SLC6A4SLC6A3TDP1MAPT
SCHEMBL2562700 0.75 DAO (0.40) ENPP2TDP1MAPTGAAALPG
SCHEMBL15331023 0.74 TDP1 (0.37) SLC6A2SLC6A4SLC6A3ENPP2TDP1
Methyl Alcohol SCHEMBL27517044 0.74 TDP1 (0.50) SLC6A4TDP1MAPTGAAALPG
SCHEMBL29954163 0.74 LPL (0.42) ENPP2TDP1MAPTGAAALPG
SCHEMBL29956268 0.73 ENPP2 (0.49) ENPP2TDP1MAPTGAAALPG

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed