SCHEMBL365200

SCHEMBL365200

N#CCOc1ccc2c(C(=O)OCc3ccc(Cl)cc3)c3ccccc3n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
MAPT P10636 6/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALOX5 P09917 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL365618 0.92 L3MBTL1 (0.39) MAPTKMT2AGAAL3MBTL1ALDH1A1
SCHEMBL367137 0.90 ALOX5 (0.40) KMT2ASMN1; SMN2MAOAMAOBALOX5
SCHEMBL364734 0.90 LMNA (0.40) TP53MAPTKMT2ASMN1; SMN2MAOB
SCHEMBL364902 0.86 ALDH1A1 (0.40) MAPTKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL365494 0.86 CASP3 (0.39) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL365199 0.85 KMT2A (0.55) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL365579 0.84 MAOB (0.38) MAPTKMT2AMAOBL3MBTL1ALDH1A1
SCHEMBL365753 0.84 ALDH1A1 (0.35) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL365359 0.83 ALDH1A1 (0.47) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL366794 0.83 PSEN1 (0.36) MAPTKMT2ACYP1A2CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed