SCHEMBL7764685

SCHEMBL7764685

O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
SCN9A Q15858 6/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
HSD11B1 P28845 3/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KAT6A Q92794 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL3476657 0.84 POLB (0.61) MEN1KMT2ASCN9AHDAC3HDAC4
SCHEMBL8889936 0.82 MEN1 (0.60) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7770299 0.80 MEN1 (0.71) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7770284 0.77 RORA (0.54) HSD11B1KDM4ETSHRLMNAHTT
SCHEMBL1093771 0.77 SCN9A (0.56) SCN9AGLO1
SCHEMBL31085768 0.75 SCN9A (0.52) MEN1KMT2ASCN9AHSD11B1MAPT
SCHEMBL28007727 0.75 KDM4E (0.68) MEN1KMT2AHSD11B1MAPTKDM4E
SCHEMBL5559592 0.74 MAPT (0.53) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL1267178 0.73 ALDH1A1 (0.59) MEN1KMT2AHSD11B1MAPTKDM4E
SCHEMBL7598878 0.72 PTGES2 (0.62) MEN1KMT2AHSD11B1MAPTKDM4E

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
US-5641793-A POSSESS ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY; USEFUL IN TREATMENT OF HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 1997-06-24 US claimed
EP-0682016-A1 Pyridine derivatives ZENECA LIMITED (GB) 1995-11-15 EP claimed
EP-0682016-B1 Pyridine derivatives ASTRAZENECA AB (SE) 2001-07-11 EP disclosed
US-5641793-A POSSESS ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY; USEFUL IN TREATMENT OF HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 1997-06-24 US disclosed
EP-0682016-A1 Pyridine derivatives ZENECA LIMITED (GB) 1995-11-15 EP disclosed