SCHEMBL29957679

SCHEMBL29957679

CCNC(=O)CN(C)c1ccccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL2553177 0.88 TSHR (0.43) NOTUMRAB9AALDH1A1LMNAMEN1
SCHEMBL29951452 0.87 RAB9A (0.35) OPRM1OPRL1RAB9ANPC1SMN1; SMN2
SCHEMBL2561856 0.84 OPRM1 (0.41) NOTUMOPRM1OPRL1SMN1; SMN2ALDH1A1
SCHEMBL15331627 0.83 HPGD (0.48) NPC1ALDH1A1TSHR
SCHEMBL29952087 0.82 TSHR (0.40) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL29956046 0.81 MPO (0.38) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2559106 0.81 MEN1 (0.45) NOTUMSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29950794 0.79 KMT2A (0.41) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL19370709 0.78 TDP1 (0.41) OPRM1OPRL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL29956007 0.78 MAOA (0.49) OPRM1OPRL1SMN1; SMN2MEN1KMT2A

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