SCHEMBL9496926

SCHEMBL9496926

CC(=O)c1cccc(NN2C=C(C(N)=O)C=CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
FKBP1A P62942 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL9494505 0.89 KMT2A (0.46) POLBFKBP1AKMT2AMEN1ATM
SCHEMBL5257296 0.84 MEN1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL9499235 0.82 MEN1 (0.39) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL9495088 0.77 RAB9A (0.47) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9494540 0.73 KDM4E (0.31) KMT2AMEN1
SCHEMBL9494592 0.72 NPC1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL9496918 0.71 KMT2A (0.42) POLBFKBP1AKMT2AMEN1ATM
SCHEMBL9495360 0.68 HTT (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL4795890 0.67 KMT2A (0.66) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL8106951 0.66 KMT2A (0.62) POLBKMT2AMEN1ALDH1A1TDP1

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed