SCHEMBL27686016

SCHEMBL27686016

Cc1cc(-c2ccccc2)nnc1N1CCN(c2ccncn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
DRD4 P21917 1/20 0.45
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 3/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1752999 0.86 MAPT (0.59) LMNAMAPTTSHRSMN1; SMN2HSD17B10
SCHEMBL13611646 0.83 SLC6A7 (0.48) HRH4DRD4LMNAMAPTTSHR
SCHEMBL13611647 0.82 KHK (0.43) LMNAMAPTTSHRHSD17B10KDM4E
Minozac Free Base SCHEMBL1752767 0.81 MAPT (0.48) DRD4LMNAMAPTTSHRSMN1; SMN2
Minozac Free Base SCHEMBL2799232 0.80 TSHR (0.47) DRD4LMNAMAPTTSHRSMN1; SMN2
Minozac Free Base SCHEMBL29369390 0.80 TSHR (0.47) DRD4LMNAMAPTTSHRSMN1; SMN2
SCHEMBL1752927 0.79 HRH4 (0.51) HRH4MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1753200 0.79 MAPT (0.47) LMNAMAPTTSHRHSD17B10KDM4E
SCHEMBL1752990 0.79 KMT2A (0.51) TSHRSMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL1753067 0.79 ACHE (0.39) HRH4LMNAMAPTTSHRKDM4E

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
CN-101087766-A Pyridazine compounds, compositions, and methods UNIV NORTHWESTERN (US) 2007-12-12 CN disclosed