SCHEMBL11220499

SCHEMBL11220499

CCN(CC)c1ccc(C(O)c2ccc(N(CC)CC)cc2Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ATM Q13315 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
S1PR1 P21453 4/20 0.43
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 4/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP3A4 P08684 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4022040 0.85 KMT2A (0.55) MAPTKMT2AMEN1ATMSMN1; SMN2
SCHEMBL10349015 0.79 KMT2A (0.40) MAPTKMT2AMEN1ATMSMN1; SMN2
SCHEMBL11308025 0.77 KMT2A (0.69) MAPTKMT2AMEN1ATMSMN1; SMN2
SCHEMBL237839 0.77 KMT2A (0.54) MAPTKMT2AMEN1ATMSMN1; SMN2
SCHEMBL24426114 0.77 S1PR1 (0.58) MAPTKMT2AMEN1ATMNPSR1
Methoxymethane SCHEMBL11125655 0.76 S100B (0.50) MAPTKMT2AMEN1ATMSMN1; SMN2
SCHEMBL11100846 0.76 CNR2 (0.45) MAPTKMT2AMEN1ATMNPSR1
SCHEMBL7779135 0.76 ALDH1A1 (0.50) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL10020928 0.75 ALDH1A1 (0.49) MAPTKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL19036500 0.74 S100B (0.38) MAPTKMT2AMEN1ATMSMN1; SMN2

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-4349454-A ENCAPSULATION OF A HYDROPHOBIC-SOLVENT SOLUTION OF A DIAMINODIARYL METHANE SULFONE DERIVATIVE KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-09-14 US disclosed