SCHEMBL7651289

SCHEMBL7651289

O=c1[nH]c(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
FTO Q9C0B1 1/20 0.44
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 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
SCHEMBL7650490 0.85 MAPK11 (0.40) KDM4EALDH1A1ADORA3CDK4CCND1
SCHEMBL7656709 0.80 NPC1 (0.48) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL7654423 0.80 ALDH1A1 (0.47) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL7656767 0.79 GAA (0.54) KDM4EALDH1A1TP53HTTGAA
SCHEMBL7660378 0.77 ALDH1A1 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL7650664 0.74 ADORA3 (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7652334 0.74 HCAR1 (0.39) ADORA3TNKSTNKS2CYP1A1CYP1B1
SCHEMBL7652867 0.74 ALDH1A1 (0.48) MAPTKDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL7654345 0.74 GAA (0.40) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL7649039 0.73 PPP1CA (0.51) KDM4EALDH1A1TP53HPGDHTT

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