SCHEMBL7651292

SCHEMBL7651292

O=c1nc(-c2ccccc2)[nH]n1-c1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
FTO Q9C0B1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39

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
SCHEMBL7650494 0.85 KDM4E (0.45) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL7656717 0.80 MEN1 (0.53) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL7654427 0.80 KDM4E (0.60) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL7656771 0.79 RAD51 (0.46) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL7660381 0.77 KMT2A (0.54) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL7650665 0.74 KDM4E (0.64) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL7652870 0.74 KDM4E (0.44) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL7652337 0.74 KDM4E (0.44) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL7654354 0.74 MEN1 (0.44) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL7649046 0.73 CXCR2 (0.50) KDM4EMEN1KMT2AMAPTALDH1A1

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