SCHEMBL9506004

SCHEMBL9506004

Cc1ccc(Nc2nc(O)cc(O)n2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
HTT P42858 2/20 0.52
RAPGEF4 Q8WZA2 1/20 0.52
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 3/20 0.45
ALOX15 P16050 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
OPRM1 P35372 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL11564238 0.87 RAPGEF4 (0.61) RAB9ANPC1HTTRAPGEF4ALDH1A1
SCHEMBL10429482 0.80 NPSR1 (0.53) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL14363158 0.79 NPC1 (0.73) RAB9ANPC1HTTRAPGEF4ALDH1A1
SCHEMBL8973681 0.79 NPC1 (0.56) RAB9ANPC1HTTRAPGEF4ALDH1A1
SCHEMBL10879967 0.79 RAB9A (0.52) RAB9ANPC1HTTRAPGEF4ALDH1A1
SCHEMBL4544857 0.76 KCNH3 (0.53) RAB9ANPC1HTTRAPGEF4KDM4E
SCHEMBL1334869 0.76 RAPGEF4 (0.74) RAB9ANPC1HTTRAPGEF4ALDH1A1
SCHEMBL30320262 0.76 RAPGEF4 (0.74) RAB9ANPC1HTTRAPGEF4ALDH1A1
SCHEMBL9507913 0.76 GAA (0.50) RAB9ANPC1RAPGEF4MAPK1L3MBTL1
SCHEMBL4544787 0.75 NFKB1 (0.59) RAB9ANPC1HTTRAPGEF4SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
US-4942225-A Preparation of diazo and azo compounds using azidoformamidium salts BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0093306-B1 METHODS FOR THE PREPARATION OF AZO COMPOUNDS, AND AZO COMPOUNDS BAYER AG (DE) 1986-09-24 EP disclosed
EP-0093306-A1 Methods for the preparation of azo compounds, and azo compounds BAYER AG (DE) 1983-11-09 EP disclosed