SCHEMBL9729243

SCHEMBL9729243

COc1cccc(OC)c1CC(=S)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
ALDH1A1 P00352 9/20 0.59
HPGD P15428 5/20 0.59
MAPT P10636 4/20 0.59
GAA P10253 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
MGLL Q99685 4/20 0.52
FAAH O00519 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.47
HTT P42858 1/20 0.46
AKR1C3 P42330 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL21455291 0.76 ALDH1A1 (0.71) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL4394405 0.75 ALDH1A1 (1.00) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL3870989 0.74 MEN1 (0.63) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL26458283 0.74 MGLL (0.54) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL8742259 0.74 KMT2A (0.79) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL14712034 0.73 KMT2A (0.58) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL4109692 0.72 NPSR1 (0.62) KMT2AALDH1A1HPGDGAAPKM
SCHEMBL11156037 0.71 MEN1 (0.67) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL1108678 0.71 MGLL (0.82) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL6177281 0.70 ALDH1A1 (0.57) MEN1CYP2C19KMT2AALDH1A1HPGD

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-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed