SCHEMBL23745977

SCHEMBL23745977

C#CCCCNc1cccc(SC/C(F)=C/CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
P4HB P07237 1/20 0.32
BRD4 O60885 5/20 0.32
MALT1 Q9UDY8 1/20 0.32
IDO1 P14902 1/20 0.32
GAA P10253 2/20 0.31
NQO2 P16083 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31

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
SCHEMBL23745931 0.86 MAOB (0.36) CA1CA2MTNR1AMTNR1B
SCHEMBL30633632 0.86 KCNQ4 (0.35) MAPK1P4HBMTNR1AMTNR1B
SCHEMBL23745978 0.81 CA1 (0.43) CA1CA2CYP3A4CYP2C19P4HB
SCHEMBL23745932 0.80 NQO2 (0.41) MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL30633625 0.79 CTSK (0.35) CA1CA2MAPK1ALDH1A1CYP1A2
SCHEMBL23746020 0.79 CTSK (0.35) CA1CA2MAPK1ALDH1A1CYP1A2
SCHEMBL26758437 0.78 IDO1 (0.41) CA1LMNAALDH1A1TSHRMALT1
SCHEMBL23723262 0.78 APEX1 (0.48) LMNAHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL23745972 0.78 ALDH1A1 (0.36) LMNAALDH1A1TSHRIDO1NQO2
SCHEMBL23723265 0.78 APEX1 (0.48) LMNAHPGDALDH1A1CYP1A2CYP2C9

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-2021155439-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2021-08-12 WO disclosed