SCHEMBL7207149

SCHEMBL7207149

CCc1cccc(NC(=N)N(C)c2cc(SC(F)(F)F)ccc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.44
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ATM Q13315 1/20 0.35
GRIN2D O15399 1/20 0.34

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
SCHEMBL6720629 0.88 SIGMAR1 (0.46) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6717153 0.87 SIGMAR1 (0.47) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6716830 0.86 SIGMAR1 (0.47) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6724383 0.85 MEN1 (0.44) ALDH1A1MAPTGAARXFP1SMN1; SMN2
SCHEMBL6719764 0.85 RAB9A (0.41) ALDH1A1MAPTGAARXFP1SMN1; SMN2
SCHEMBL8470063 0.84 SIGMAR1 (0.47) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6727486 0.83 HDAC3 (0.41) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6720673 0.82 SIGMAR1 (0.63) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6724268 0.82 HDAC3 (0.42) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7203955 0.81 SIGMAR1 (0.69) SIGMAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705100-B1 THERAPEUTIC SUBSTITUTED GUANIDINES CENES LTD (GB) 2003-07-30 EP claimed
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US claimed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US claimed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 US claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US disclosed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 US disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed