SCHEMBL8425970

SCHEMBL8425970

Cc1ccccc1NC(=NC#N)Nc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
SIGMAR1 Q99720 2/20 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
SCHEMBL30323639 0.91 KDM4E (0.51) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL10577866 0.91 KDM4E (0.51) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL6155789 0.77 GAA (0.63) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL6400980 0.72 SIGMAR1 (0.58) ALDH1A1KMT2AMAPTHPGDRAB9A
SCHEMBL6400976 0.72 SIGMAR1 (0.58) ALDH1A1KMT2AMAPTHPGDRAB9A
SCHEMBL8335235 0.71 KMT2A (0.48) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL17237895 0.71 NPC1 (0.46) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL17237894 0.71 NPC1 (0.46) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL17237896 0.71 NPC1 (0.46) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL14257578 0.70 TRPV1 (0.44) ALDH1A1KMT2AMAPTKDM4EHPGD

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-0584088-B1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RES (US) 1999-10-27 EP disclosed
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 disclosed
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 disclosed
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 disclosed