SCHEMBL9795602

SCHEMBL9795602

CCc1ccc(N(CC(=O)O)NC(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PLK1 P53350 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
IKBKB O14920 1/20 0.35
PLAU P00749 1/20 0.35
ATM Q13315 1/20 0.35
IDO1 P14902 1/20 0.34
SRC P12931 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9795628 0.82 SIGMAR1 (0.45) KDM4ETDP1
SCHEMBL11573258 0.82 TDP1 (0.40) ALDH1A1KDM4ETDP1KMT2APOLB
SCHEMBL9795734 0.81 OGG1 (0.38) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL9795724 0.76 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL9795600 0.75 ALDH1A1 (0.47) ALDH1A1PLK1SMN1; SMN2KDM4EKMT2A
SCHEMBL9795800 0.75 SIGMAR1 (0.38) ALDH1A1SMN1; SMN2HPGDKDM4ETDP1
SCHEMBL339416 0.74 ALDH1A1 (0.50) ALDH1A1PLK1SMN1; SMN2AOC3KDM4E
SCHEMBL9795555 0.74 POLB (0.38) ALDH1A1HPGDPOLBATM
SCHEMBL9795705 0.74 MAOA (0.38) ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL13634482 0.73 ALDH1A1 (0.48) ALDH1A1PLK1SMN1; SMN2HPGDKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed