SCHEMBL27106901

SCHEMBL27106901

O=NC(O)c1cc(I)cc(I)c1I

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
ERN1 O75460 1/20 0.31
TPMT P51580 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
SCHEMBL22280538 0.76 TTR (0.42) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL7152837 0.69 ADRA2A (0.38) TTRGABRA1GABRB1GABRB2
SCHEMBL21263766 0.67 GABRA1 (0.56) TTRGABRA1GABRB1GABRB2
SCHEMBL22403150 0.67 TTR (0.34) TTRGABRA1GABRB1GABRB2
SCHEMBL17161274 0.64 GABRA1 (0.41) TTRGABRA1GABRB1GABRB2
SCHEMBL25479340 0.63
SCHEMBL19985768 0.63 GPR17 (0.33) TPMT
Formaldehyde SCHEMBL28061059 0.62 TTR (0.45) TTRERN1TPMT
SCHEMBL27106654 0.61 HDAC3 (0.39) TTRERN1TPMT
SCHEMBL21159415 0.61 TTR (0.59) TTRGABRA1GABRB1GABRB2ERN1

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-2024040745-A1 AMIDE COMPOUND CONTAINING IODO ARYL OR IODO HETEROARYL, AND PREPARATION METHOD THEREFOR AND USE THEREOF 科睿驰(深圳)医疗科技发展有限公司 2024-02-29 WO disclosed