SCHEMBL29953250

SCHEMBL29953250

Cc1cc(C)c2c(C=O)c(-c3cccc([N+](=O)[O-])c3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL29954488 0.87 SMN1; SMN2 (0.44) MMP2MMP9MMP8MMP13MAPT
SCHEMBL29952426 0.84 LMNA (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL29957073 0.81 SMN1; SMN2 (0.50) MMP2MMP9MMP8MMP13MAPT
SCHEMBL29953933 0.81 MAPT (0.48) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2556672 0.81 MGAM (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29953545 0.81 TNKS2 (0.44) MAPTALDH1A1DRD2HTR2AHTR2C
SCHEMBL15330037 0.80 MMP2 (0.50) MMP2MMP9MMP8MMP13MAPT
SCHEMBL15333187 0.79 MAPT (0.47) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2557296 0.78 GRIN2D (0.41) MAPTALDH1A1TDP1NPC1RAB9A
SCHEMBL29956203 0.77 ERN1 (0.42) MAPTRAB9APOLBGRIN2DGRIN3B

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