SCHEMBL27363569

SCHEMBL27363569

[N-]=[N+]=Nc1ccccc1CCN(C(N)=S)c1nc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.32
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
F7 P08709 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP3A4 P08684 1/20 0.30
AURKA O14965 1/20 0.30

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
SCHEMBL27363564 0.80 ALDH1A1 (0.43) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27359800 0.80 MEN1 (0.43) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27361572 0.80 RAB9A (0.44) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27359801 0.77 RAB9A (0.48) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27379175 0.76 SMN1; SMN2 (0.43) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27400434 0.73 KDM4E (0.43) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27376733 0.73 AOC3 (0.41) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27379146 0.73 LMNA (0.44) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27379135 0.72 CYP1A2 (0.39) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL27360419 0.72 LMNA (0.39) LMNACYP1A2CYP2D6CYP2C19BCHE

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-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed