SCHEMBL22945803

SCHEMBL22945803

CC(O)c1ccnc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
UGT2B7 P16662 1/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CDK8 P49336 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
NOX1 Q9Y5S8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
OGA O60502 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
SCHEMBL12807236 0.83 HDAC8 (0.36) MEN1KMT2AHDAC8ALDH1A1CYP3A4
SCHEMBL16876488 0.79 HDAC8 (0.33) HDAC8CYP3A4CYP2C19
SCHEMBL19846691 0.77 UHRF1 (0.48) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL17198732 0.77 UHRF1 (0.48) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL15277731 0.75 PLG (0.41) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL514592 0.75 NOS3 (0.48) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL21200276 0.75 PLG (0.41) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL2040052 0.75 RECQL (0.44) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL4330263 0.75 RECQL (0.44) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL568609 0.75 PLG (0.41) PLGPLAUUGT2B7MEN1KMT2A

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-2021021761-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. (US) 2021-02-04 WO disclosed