SCHEMBL9505944

SCHEMBL9505944

Oc1cc(O)nc(Nc2cc(Cl)ccc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.41
IDO1 P14902 1/20 0.41
CXCL8 P10145 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
C1R P00736 1/20 0.40
GAA P10253 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL4911297 0.81 TSHR (0.61) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL8973265 0.81 TSHR (0.56) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL10429444 0.80 TSHR (0.65) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL9738354 0.79 RAPGEF4 (0.53) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL9506899 0.76 POLB (0.49) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL7765087 0.74 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL10429500 0.73 NPY5R (0.50) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL10051472 0.72 KDM4E (0.56) MEN1KMT2APOLBMAPTCYP2C9
SCHEMBL10429474 0.71 MAPT (0.54) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL10604460 0.69 CXCL8 (0.49) RAPGEF4MEN1KMT2APOLBMAPT

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 5 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-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP 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