SCHEMBL8401575

SCHEMBL8401575

N=C(N)N(N)C(N)=Nc1ccc2c3c(cccc13)C=C2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.37
SCN2A Q99250 1/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31

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
SCHEMBL8397646 0.81 SCN2A (0.43) SIGMAR1SCN2A
SCHEMBL9116061 0.78 RAD52 (0.41) SIGMAR1SCN2ACYP2D6PLG
SCHEMBL6155066 0.73 SCN2A (0.45) SIGMAR1SCN2A
SCHEMBL8843698 0.72 SIGMAR1 (0.33) SIGMAR1
SCHEMBL6721210 0.70 SCN2A (0.42) SIGMAR1SCN2A
SCHEMBL6155032 0.70 SCN2A (0.64) SIGMAR1SCN2ATSHR
SCHEMBL9112765 0.69 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8401688 0.67
SCHEMBL8843685 0.67 SIGMAR1 (0.51) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL8401573 0.66 KDM4E (0.30)

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-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP claimed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP claimed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed