SCHEMBL9225938

SCHEMBL9225938

S=C=NC1CCN(c2cccc3nonc23)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
CNR1 P21554 3/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM2B Q8NHM5 1/20 0.32

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
SCHEMBL9220891 0.77 POLB (0.40) POLBALDH1A1LMNAMAPK1PKM
SCHEMBL9231295 0.76 MEN1 (0.57) CNR2CNR1POLBALDH1A1MAPK1
SCHEMBL17109415 0.71 KMT2A (0.54) POLBALDH1A1LMNAMAPK1PKM
SCHEMBL6391081 0.70 KMT2A (0.57) POLBALDH1A1LMNAMAPK1PKM
SCHEMBL7053211 0.67 HTR2A (0.53) POLBALDH1A1LMNAMAPK1PKM
SCHEMBL18999852 0.66 APP (0.59) POLBALDH1A1LMNAMAPK1PKM
SCHEMBL18999814 0.64 APP (0.49) POLBALDH1A1LMNAMAPK1PKM
SCHEMBL21224877 0.62 ALDH1A1 (0.46) POLBALDH1A1LMNAMAPK1PKM
SCHEMBL5918316 0.62 MBTD1 (0.47) POLBALDH1A1LMNAMAPK1KMT2A
SCHEMBL14258131 0.62 ALDH1A1 (0.42) CNR2CNR1POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7149760-A None JP disclosed
JP-H07149760-A NEW OPTICALLY ACTIVE DERIVATIVE OF 7-(3-ISOTHIO-CYANATOPYPROLIDIN-1-YL) 2,1,3-BENZOADIAZOLE AND FLUORESCENCE-LABELED REAGENT FOR AMINE ANALYSIS KOKURITSU EISEI SHIKENJO 1995-06-13 JP disclosed