SCHEMBL29953073

SCHEMBL29953073

NCc1ccc(F)cc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
IDO1 P14902 4/20 0.37
AGXT P21549 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
LIPE Q05469 1/20 0.33
F11 P03951 1/20 0.32

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
SCHEMBL9938729 1.00 MPO (0.41) MPOIDO1AGXTLOXL2TAAR1
Hydrochloric Acid SCHEMBL29951319 0.98 MPO (0.40) MPOIDO1AGXTLOXL2TAAR1
Hydrochloric Acid SCHEMBL3761659 0.98 MPO (0.40) MPOIDO1AGXTLOXL2TAAR1
SCHEMBL9938058 0.84 MPO (0.41) MPOIDO1AGXTLOXL2TAAR1
Hydrochloric Acid SCHEMBL3769431 0.82 MPO (0.40) MPOIDO1AGXTLOXL2TAAR1
SCHEMBL902030 0.82 IDO1 (0.34) IDO1AGXTKDM4ESMN1; SMN2LIPE
SCHEMBL16576644 0.77 RIPK1 (0.35) IDO1AGXTKDM4ESMN1; SMN2LIPE
SCHEMBL28983761 0.77 IDO1 (0.39) IDO1AGXTSMN1; SMN2LIPE
SCHEMBL30396772 0.77 IDO1 (0.39) IDO1AGXTSMN1; SMN2LIPE
SCHEMBL12215820 0.74 CA3 (0.52) MPOIDO1AGXTLOXL2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed