SCHEMBL11397178

SCHEMBL11397178

COC(=O)c1ccc2c(c1)Sc1ccccc1C(Cl)=N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.48
POLB P06746 4/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PLEC Q15149 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.40
CNR1 P21554 3/20 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
SCHEMBL4670768 0.90 PLEC (0.53) TP53POLBTHRBBLMTDP1
SCHEMBL11387022 0.90 TP53 (0.43) TP53POLBTHRBBLMTDP1
SCHEMBL13807802 0.77 TP53 (0.53) TP53POLBMAPTKDM4ESMN1; SMN2
SCHEMBL13808127 0.75 TP53 (0.64) TP53KDM4ESMN1; SMN2PLECNPSR1
SCHEMBL9511152 0.75 KDM4E (0.52) TP53POLBTHRBBLMTDP1
SCHEMBL4668620 0.75 TP53 (0.60) TP53POLBMAPTKDM4ESMN1; SMN2
SCHEMBL4668629 0.74 PLEC (0.49) TP53POLBMAPTKDM4ESMN1; SMN2
SCHEMBL13808239 0.74 TP53 (0.73) TP53MAPTKDM4ESMN1; SMN2NPSR1
SCHEMBL4669703 0.74 PLEC (0.54) TP53POLBKDM4ESMN1; SMN2PLEC
SCHEMBL15485372 0.74 RARA (0.41) TP53PLECLMNACNR1CNR2

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-4263207-A ANTIALLERGENS MERCK & CO., INC. (US) 1981-04-21 US disclosed