SCHEMBL29952665

SCHEMBL29952665

Cc1cc(C=O)c(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
UHRF1 Q96T88 2/20 0.41
ALDH1A1 P00352 8/20 0.38
TSHR P16473 2/20 0.38
ERN1 O75460 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MPI P34949 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS3 P29474 1/20 0.33

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
SCHEMBL6627536 1.00 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4UHRF1
SCHEMBL29954921 0.82 UHRF1 (0.46) GRIA1GRIA2GRIA3GRIA4UHRF1
SCHEMBL6631118 0.82 UHRF1 (0.46) GRIA1GRIA2GRIA3GRIA4UHRF1
SCHEMBL24086660 0.78 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL29878553 0.78 CYP1A2 (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL29953875 0.78 CYP1A2 (0.38) GRIA1GRIA2GRIA3GRIA4UHRF1
SCHEMBL14327941 0.78 UHRF1 (0.54) GRIA1GRIA2GRIA3GRIA4UHRF1
SCHEMBL29957354 0.78 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL14901952 0.78 LMNA (0.43) GRIA1GRIA2GRIA3GRIA4UHRF1
SCHEMBL29956002 0.78 NOS3 (0.56) GRIA1GRIA2GRIA3GRIA4UHRF1

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