SCHEMBL7656228

SCHEMBL7656228

O=c1[nH]c(-c2ccncc2)nn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
GSK3B P49841 1/20 0.44
MAPK10 P53779 1/20 0.44
SRC P12931 2/20 0.43
BRAF P15056 2/20 0.43
KDR P35968 2/20 0.43
KDM4E B2RXH2 2/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
NPY5R Q15761 1/20 0.41
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 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
SCHEMBL7650664 0.90 ADORA3 (0.44) ALDH1A1HPGDSRCKDM4EMAPK14
SCHEMBL5821203 0.84 MAPK14 (0.47) ALDH1A1GSK3BSRCBRAFKDR
SCHEMBL7649040 0.83 HPGD (0.52) ALDH1A1HPGDMAPTKDM4ENPY5R
SCHEMBL7660378 0.83 ALDH1A1 (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL20078779 0.83 TNKS (0.50) ALDH1A1HPGDHSD17B10MAPTSRC
SCHEMBL7652506 0.83 TNKS (0.50) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL4549461 0.80 ALDH1A1 (0.37) ALDH1A1HPGDSRCKDM4EMAPK14
SCHEMBL7652937 0.79 TNKS (0.47) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7654423 0.79 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL7659631 0.79 ATM (0.62) ALDH1A1HPGDKDM4ESMN1; SMN2KMT2A

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