SCHEMBL9566549

SCHEMBL9566549

COc1ccc(-c2nc(N)nc(N)n2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.57
PDGFRA P16234 1/20 0.57
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 2/20 0.50
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 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
SCHEMBL19356065 0.81 PDGFRB (0.53) PDGFRBPDGFRAMAPTALDH1A1SMN1; SMN2
SCHEMBL9566448 0.80 KDM4E (0.58) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL9566530 0.78 DHFR (0.60) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL11002112 0.77 NCOA1 (0.71)
SCHEMBL31084656 0.77 MAPT (0.72) PDGFRBPDGFRAMAPTALDH1A1SMN1; SMN2
SCHEMBL3134094 0.77 MAPT (0.72) PDGFRBPDGFRAMAPTALDH1A1SMN1; SMN2
SCHEMBL8489079 0.76 KDM4E (0.58) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL30955240 0.75 ALDH1A1 (0.67) PDGFRBPDGFRAMAPTALDH1A1SMN1; SMN2
SCHEMBL14851821 0.75 TUBB4A (0.51) PDGFRBPDGFRAMAPTALDH1A1SMN1; SMN2
SCHEMBL28075509 0.75 GRK6 (0.60) PDGFRBPDGFRAMAPTALDH1A1SMN1; SMN2

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-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 EP disclosed