SCHEMBL10694927

SCHEMBL10694927

CCCc1ccc(NC(=O)c2ccc(CNC(=N)N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.52
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
KLKB1 P03952 1/20 0.50
PRSS1 P07477 1/20 0.50
PLK1 P53350 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
ENPP1 P22413 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10695177 0.91 TRPV1 (0.59) TRPV1KDM4ENPC1RAB9APLK1
SCHEMBL24892110 0.90 KMT2A (0.56) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL30180871 0.86 KMT2A (0.63) KDM4ENPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL10693788 0.85 NAMPT (0.60) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL10695195 0.84 NAMPT (0.62) KDM4ENPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL10696567 0.84 MEN1 (0.50) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL10694980 0.84 KMT2A (0.55) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL10696924 0.84 NAMPT (0.65) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL10644987 0.83 NAMPT (0.58) TRPV1KDM4ENPC1RAB9AMEN1
SCHEMBL19639325 0.83 MEN1 (0.57) KDM4ENPC1RAB9AMEN1KMT2A

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-0268267-A2 Guanidinomethylbenzoic acid derivatives, compositions containing the same, processes for preparing the same, and the use of the same in the manufacture of medicaments of therapeutic value NIPPON HYPOX LABORATORIES INCORPORATED (JP) 1988-05-25 EP disclosed