SCHEMBL8984863

SCHEMBL8984863

CC(NC(CC(N)=O)C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
PKM P14618 1/20 0.49
CTSK P43235 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ACE P12821 2/20 0.46
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR84 Q9NQS5 3/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL7826468 0.79 HTR2A (0.65) MEN1KMT2AMAPTPKMCTSK
SCHEMBL8415706 0.77 ACE (0.46) MEN1KMT2AMAPTPKMCTSK
SCHEMBL8418352 0.77 ACE (0.46) MEN1KMT2AMAPTPKMCTSK
SCHEMBL28268218 0.76 APAF1 (0.49) MEN1KMT2AMAPTKDM4EAPAF1
SCHEMBL27763685 0.76 HTR2A (0.49) MEN1KMT2AMAPTPKMCTSK
SCHEMBL6394945 0.74 GPR84 (0.54) MEN1KMT2AMAPTPKMHTR2A
SCHEMBL27763691 0.74 MGAM (0.52) MEN1KMT2AMAPTPKMCTSK
SCHEMBL31285794 0.74 KDM4E (0.60) MEN1KMT2AMAPTACEKDM4E
SCHEMBL1878736 0.74 GPR84 (0.53) MEN1KMT2AMAPTPKMHTR2A
SCHEMBL27777642 0.74 GPR84 (0.56) MEN1KMT2AMAPTPKMCTSK

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-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed