SCHEMBL7658198

SCHEMBL7658198

CC(C)(C)n1[nH]c(-c2ccccc2)nc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TYMP P19971 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
P2RY6 Q15077 1/20 0.39
ADORA2A P29274 2/20 0.38

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
SCHEMBL7649050 0.77 KDM4E (0.47) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7650665 0.71 KDM4E (0.64) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7652940 0.69 KDM4E (0.51) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7652870 0.69 KDM4E (0.44) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7654106 0.68 MGLL (0.44) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7656605 0.68 CXCR2 (0.67) ADORA3CXCR2
SCHEMBL4965756 0.67 MEN1 (0.50) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL23401806 0.67 MEN1 (0.50) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL23399793 0.67 GAA (0.44) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7652834 0.66 ALKBH5 (0.48) KDM4ESMN1; SMN2RAB9AMEN1KMT2A

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