SCHEMBL25810868

SCHEMBL25810868

CN(C)CCCn1c(=O)[nH]c2ccc(CCOCCCn3c(=O)[nH]c4ccccc4c3=O)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 10/20 0.64
XDH P47989 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.48
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HAVCR2 Q8TDQ0 1/20 0.46
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.44
CYP1A2 P05177 1/20 0.44
QPCT Q16769 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL32680056 0.83 MPO (0.92) MPOXDHALDH1A1HPGDHSD17B10
SCHEMBL10288922 0.83 MPO (0.92) MPOXDHALDH1A1HPGDHSD17B10
SCHEMBL25335252 0.76 MPO (0.63) MPOALDH1A1HPGDKMT2AHSD17B10
SCHEMBL25333362 0.76 ALDH1A1 (0.64) MPOALDH1A1HPGDHSD17B10KDM4E
SCHEMBL25333651 0.76 MPO (0.82) MPOXDHALDH1A1HPGDKMT2A
SCHEMBL25810869 0.74 MPO (0.55) MPOXDHALDH1A1HPGDKMT2A
SCHEMBL2731546 0.71 MPO (1.00) MPOXDHALDH1A1HAVCR2
SCHEMBL17501680 0.70 HSD17B10 (0.49) MPOALDH1A1HPGDKMT2AHSD17B10
SCHEMBL5112012 0.69 ALDH1A1 (0.73) MPOALDH1A1HPGDKMT2AHSD17B10
SCHEMBL8987938 0.69 ALDH1A1 (0.73) MPOXDHALDH1A1HPGDKMT2A

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
WO-2023133240-A1 COMPOSITIONS, FORMULATIONS, AND METHODS FOR SKIN TREATMENT REVELA, INC. (US) 2023-07-13 WO disclosed