SCHEMBL24906138

SCHEMBL24906138

COc1ccc2[nH]cc(C(=O)C(=O)N(C)C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.66
LMNA P02545 4/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
MITF O75030 1/20 0.63
RAB9A P51151 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ALDH1A1 P00352 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
IMPDH2 P12268 1/20 0.54
IMPDH1 P20839 1/20 0.54
CPT1A P50416 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HTR4 Q13639 2/20 0.52
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL31377509 0.91 NR4A2 (0.54) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL25229260 0.89 MAPT (0.63) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL29989077 0.84 NR4A2 (0.50) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL29898343 0.84 LMNA (0.54) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL1558974 0.84 NR4A2 (0.71) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL8551129 0.83 HTT (0.63) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL25285571 0.83 KMT2A (0.57) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL7382576 0.83 NR4A2 (0.69) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL1858919 0.83 NR4A2 (0.69) NR4A2LMNAKMT2AMEN1MAPT
SCHEMBL7385581 0.83 LMNA (0.70) NR4A2LMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4279070-A2 COMPOSITION COMPRISING A BENZOATE SALT OF 5-METHOXY-N,N-DIMETHYLTRYPTAMINE Beckley Psytech Limited (GB) 2023-11-22 EP disclosed
WO-2023002005-A1 METHOD FOR PREPARING A TRYPTAMINE DERIVATIVE. GH Research Ireland Limited (IE) 2023-01-26 WO disclosed
EP-4122916-A1 METHOD FOR PREPARING AN ORGANIC COMPOUND GH Research Ireland Limited (IE) 2023-01-25 EP disclosed