SCHEMBL20976802

SCHEMBL20976802

N/C=C\N(N)c1ccncc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 14/20 0.45
KDM6B O15054 7/20 0.45
KDM4D Q6B0I6 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
KDM4A O75164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIRT3 Q9NTG7 1/20 0.40
NAPRT Q6XQN6 1/20 0.36
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
GAA P10253 2/20 0.33
APP P05067 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL2346372 0.77 KDM4C (0.55) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL20976770 0.77 ALDH1A1 (0.45) TDP1KDM4EALDH1A1MAPTNAPRT
SCHEMBL5014069 0.73 KDM4C (0.49) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL21118610 0.72 ALDH1A1 (0.47) KDM4EALDH1A1MAPTGAATSHR
SCHEMBL17746099 0.71 KDM4C (0.47) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL3392091 0.69 KDM4C (0.62) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL30923484 0.69 KDM4C (0.62) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL11870062 0.69 KDM4C (0.62) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL29416303 0.67 KDM4C (0.65) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL71335 0.67 KDM4C (0.65) KDM4CKDM6BKDM4DTDP1KDM4E

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-3093291-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-08 EP disclosed