SCHEMBL28874997

SCHEMBL28874997

CC(=NNc1ccccc1)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.57
KMT2A Q03164 9/20 0.57
GAA P10253 6/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 9/20 0.53
ALDH1A1 P00352 6/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALOX12 P18054 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.48
CASP6 P55212 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL15187708 0.93 RAB9A (0.57) MEN1KMT2AGAARAB9AMAPT
SCHEMBL15177203 0.90 ALDH1A1 (0.54) MEN1KMT2AGAARAB9AMAPT
SCHEMBL4413307 0.88 GAA (0.69) MEN1KMT2AGAARAB9AMAPT
SCHEMBL13345208 0.88 GAA (0.69) MEN1KMT2AGAARAB9AMAPT
SCHEMBL3273659 0.88 GAA (0.69) MEN1KMT2AGAARAB9AMAPT
SCHEMBL11325422 0.85 MEN1 (0.61) MEN1KMT2AGAARAB9AMAPT
SCHEMBL12670669 0.84 MAPT (0.67) MEN1KMT2AGAARAB9AMAPT
SCHEMBL23392561 0.84 MEN1 (0.64) MEN1KMT2AGAARAB9AMAPT
SCHEMBL6285948 0.84 RAB9A (0.66) MEN1KMT2AGAARAB9AMAPT
SCHEMBL6285944 0.84 RAB9A (0.66) MEN1KMT2AGAARAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260104-B Preparation method of fullerene tetrahydropyridazine compound 合肥学院 2023-10-27 CN claimed
CN-115260104-A Preparation method of fullerene tetrahydropyridazine compound 合肥学院 2022-11-01 CN claimed
CN-115260104-B Preparation method of fullerene tetrahydropyridazine compound 合肥学院 2023-10-27 CN disclosed
CN-115260104-A Preparation method of fullerene tetrahydropyridazine compound 合肥学院 2022-11-01 CN disclosed