SCHEMBL10499987

SCHEMBL10499987

CNC1(C(=O)Nc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 1/20 0.52
CYP2C19 P33261 2/20 0.50
TSHR P16473 1/20 0.50
ENPP2 Q13822 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM1A O60341 1/20 0.47
FOLH1 Q04609 1/20 0.46
F13A1 P00488 2/20 0.46
TGM2 P21980 2/20 0.46
TGM1 P22735 2/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
CYP3A4 P08684 2/20 0.46
HDAC3 O15379 2/20 0.46

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
SCHEMBL10499958 0.88 MEN1 (0.57) MEN1KMT2ANPSR1MAPTCYP2C19
SCHEMBL10500450 0.87 MEN1 (0.49) MEN1KMT2ANPSR1MAPTCYP2C19
SCHEMBL10500526 0.85 PYGL (0.53) MEN1KMT2ANPSR1MAPTCYP2C19
SCHEMBL10500298 0.85 ALDH1A1 (0.48) MEN1KMT2ANPSR1MAPTCYP2C19
SCHEMBL10500187 0.84 MEN1 (0.50) MEN1KMT2ANPSR1MAPTCYP2C19
SCHEMBL10501134 0.83 PYGL (0.47) MEN1KMT2ANPSR1CYP2C19SMN1; SMN2
SCHEMBL10500385 0.82 MEN1 (0.45) MEN1KMT2ANPSR1MAPTCYP2C19
SCHEMBL11113119 0.82 KDM4E (0.43) MEN1KMT2ANPSR1MAPTTSHR
SCHEMBL10500129 0.82 SCN5A (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL10500603 0.82 KMT2A (0.44) MEN1KMT2ANPSR1MAPTSMN1; 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
EP-0121972-B1 N-ARYL-ALPHA-AMINO-CARBOXAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1989-05-24 EP disclosed