SCHEMBL2558341

SCHEMBL2558341

Cc1cc(C=O)c(C)n1CC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.57
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 8/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
CTDSP1 Q9GZU7 3/20 0.43
CASP6 P55212 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 4/20 0.39
APEX1 P27695 3/20 0.39
ALOX12 P18054 1/20 0.38
NSD2 O96028 1/20 0.38
PKM P14618 1/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL2558791 0.83 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2555988 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL9772389 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2551654 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL9772272 0.77 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2560617 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL14232240 0.76 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL9422551 0.71 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2551652 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL4874761 0.70 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1

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 9 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-5043348-A Pyrrolealdehydes, their preparation and their use CASSELLA AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0287988-A2 Pyrrole aldehydes, their preparation and use CASSELLA Aktiengesellschaft (DE) 1988-10-26 EP disclosed