SCHEMBL7656717

SCHEMBL7656717

O=c1nc(-c2ccccc2)[nH]n1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
GAA P10253 5/20 0.53
MAPT P10636 5/20 0.53
HTT P42858 3/20 0.53
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
CXCR2 P25025 1/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
NOD2 Q9HC29 1/20 0.44
TYMP P19971 1/20 0.43
SCN2A Q99250 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL7650665 0.86 KDM4E (0.64) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL7654427 0.85 KDM4E (0.60) MEN1KMT2AGAAMAPTHTT
SCHEMBL7660381 0.85 KMT2A (0.54) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL7656771 0.84 RAD51 (0.46) MEN1KMT2AGAAMAPTHTT
SCHEMBL7655381 0.84 KDM4E (0.48) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL7652834 0.84 ALKBH5 (0.48) MEN1KMT2AGAAMAPTHTT
SCHEMBL7656036 0.82 ALKBH5 (0.50) MEN1KMT2AGAAMAPTHTT
SCHEMBL7651292 0.80 GABRA1 (0.43) MEN1KMT2AGAAMAPTHTT
SCHEMBL7649046 0.78 CXCR2 (0.50) MEN1KMT2AGAAMAPTHTT
SCHEMBL7656234 0.77 ALDH1A1 (0.53) MEN1KMT2AGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed