SCHEMBL29951989

SCHEMBL29951989

Cc1cc(C)c2[nH]c(-c3ccccc3[N+](=O)[O-])c(C=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ABCB1 P08183 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPT P10636 5/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
ALPL P05186 1/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 1/20 0.36
CDC7 O00311 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL15330102 0.88 MAPT (0.35) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL15332615 0.85 MGAM (0.45) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL29956862 0.85 ABCB1 (0.46) SMN1; SMN2ABCB1HSD17B10MAPTL3MBTL1
SCHEMBL15330640 0.82 KMT2A (0.46) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL15330506 0.82 MAPT (0.40) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL2557296 0.81 GRIN2D (0.41) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL15333338 0.81 CYP19A1 (0.43) SMN1; SMN2HSD17B10MAPTMAPK1ALDH1A1
SCHEMBL29957349 0.80 ABCB1 (0.42) SMN1; SMN2ABCB1MAPTALDH1A1KMT2A
SCHEMBL2557662 0.80 ABCB1 (0.42) SMN1; SMN2GAAABCB1HSD17B10MAPT
SCHEMBL15332936 0.79 GAA (0.41) SMN1; SMN2MGAMGAASIMGAM2

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