SCHEMBL29956445

SCHEMBL29956445

CCc1ccc2c(c1)C(C=O)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
IGF1R P08069 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALOX12 P18054 1/20 0.38
S1PR1 P21453 1/20 0.38
NTSR1 P30989 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 4/20 0.37
TP53 P04637 2/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL29954830 0.88 MAPT (0.38) MAPTALDH1A1HTTLMNATP53
SCHEMBL29952427 0.79 EPHX2 (0.40) SMN1; SMN2PIM1PIM2MAPTALDH1A1
SCHEMBL12727796 0.79 PGR (0.50) SMN1; SMN2MAPTALDH1A1LMNATP53
SCHEMBL29952126 0.78 MAOB (0.43) SMN1; SMN2PIM1PIM2MAPTALDH1A1
SCHEMBL2056355 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1HTTTDP1
SCHEMBL29953205 0.76 PGR (0.43) MAPTLMNATP53PGRMEN1
SCHEMBL29954649 0.76 TP53 (0.46) SMN1; SMN2MAPTALDH1A1LMNATP53
SCHEMBL1314441 0.76 HTR7 (0.40) PIM1PIM2MAPTKMT2A
SCHEMBL22419352 0.75 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1HTTTDP1
SCHEMBL18898645 0.75 MAOB (0.51) SMN1; SMN2MAPTALDH1A1LMNATP53

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