SCHEMBL22861286

SCHEMBL22861286

O=C(Cc1cc(I)c(CC(=O)ON2C(=O)CCC2=O)cc1I)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MGLL Q99685 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ P2RX7 Q99572 3/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 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
SCHEMBL19658180 0.79 KMT2A (0.41) KMT2AALOX12MGLLSMN1; SMN2PSMB8
SCHEMBL5019569 0.78 KMT2A (0.41) KMT2AALOX12MGLLSMN1; SMN2PSMB8
SCHEMBL20530034 0.75 KMT2A (0.41) KMT2AMGLLMAPK1HPGD
SCHEMBL499428 0.74 KMT2A (0.46) KMT2AALOX12MGLLSMN1; SMN2MAPK1
SCHEMBL43673 0.74 PSMB8 (0.33) ALOX12MGLLPSMB8PSMB5
SCHEMBL11148296 0.73 AKR1B1 (0.50) KMT2AALOX12MGLLSMN1; SMN2MAPK1
SCHEMBL2618714 0.73 MGLL (0.34) KMT2AALOX12MGLLPSMB8PSMB5
SCHEMBL43576 0.73 PSMB8 (0.35) KMT2AALOX12MGLLSMN1; SMN2PSMB8
SCHEMBL19658177 0.72 KMT2A (0.50) KMT2AMGLLSMN1; SMN2MAPK1HPGD
SCHEMBL13404896 0.72 KMT2A (0.40) KMT2AMAPK1HPGDKDM4EPOLB

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-20210003506-A1 FLUORESCENCE SPECTRAL SHAPE ANALYSIS FOR ANALYTE RECOGNITION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-01-07 — — US disclosed
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