SCHEMBL11158282

SCHEMBL11158282

N#CCSC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GALR3 O60755 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC2A1 P11166 1/20 0.32
GBA1 P04062 2/20 0.31

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
SCHEMBL10951496 0.76 GBA1 (0.36) MAOAMAOBALDH1A1KMT2ACYP1A2
SCHEMBL11168608 0.75 KMT2A (0.35) ALDH1A1KMT2ASLC2A1GBA1
SCHEMBL6692899 0.75 KMT2A (0.35) ALDH1A1KMT2ASLC2A1GBA1
SCHEMBL10494857 0.73 GBA1 (0.34) MAOAMAOBALDH1A1KMT2AMEN1
SCHEMBL11163048 0.72
SCHEMBL780415 0.69 SLC2A1 (0.38) ALDH1A1KMT2AMEN1SLC2A1GBA1
SCHEMBL776553 0.69 GBA1 (0.44) ALDH1A1KMT2AMEN1MAPTSLC2A1
SCHEMBL11444364 0.69 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C19
SCHEMBL14365648 0.67
SCHEMBL779637 0.66 SLC2A1 (0.34) KMT2ASLC2A1GBA1

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-4370278-A Nucleophilic substitution process ETHYL CORPORATION (US) 1983-01-25 US disclosed