SCHEMBL28816979

SCHEMBL28816979

CC(=O)Oc1ccncc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
TDP1 Q9NUW8 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
TSHR P16473 2/20 0.38
SIRT3 Q9NTG7 1/20 0.38

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
SCHEMBL29256723 0.83 KDM4E (0.48) KDM4EALDH1A1GAAGLATDP1
SCHEMBL4633528 0.83 ALDH1A1 (0.53) KDM4EALDH1A1GAAGLATDP1
SCHEMBL4634601 0.82 KDM4E (0.56) KDM4EALDH1A1GAAGLATDP1
SCHEMBL27601691 0.81 KDM4E (0.46) KDM4EALDH1A1GAAGLATDP1
SCHEMBL25320860 0.78 KDM4E (0.44) KDM4EALDH1A1GAAGLATDP1
SCHEMBL27744153 0.78 ALOX15 (0.46) KDM4EALDH1A1GAAGLATDP1
SCHEMBL27703275 0.78 KDM4E (0.38) KDM4EALDH1A1GAAGLATDP1
SCHEMBL29371342 0.78 CA12 (0.46) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL27904191 0.78 CCNC (0.40) KDM4EALDH1A1GAAGLATDP1
SCHEMBL27793494 0.78 CYP4F2 (0.44) KDM4EALDH1A1GAAGLATDP1

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
CN-104395297-A Sulfonamide derivatives and pharmaceutical use thereof AJINOMOTO KK 2015-03-04 CN disclosed