SCHEMBL29958150

SCHEMBL29958150

OB(O)c1cnc(N2CCCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.45
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 8/20 0.36
CNR1 P21554 1/20 0.36
AOC3 Q16853 2/20 0.35
IP6K1 Q92551 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
AR P10275 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL29952578 0.98 UBE2T (0.44) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL29951749 0.84 ALDH1A1 (0.44) MAPTALDH1A1LMNACNR2AOC3
SCHEMBL15332124 0.84 HRH4 (0.45) SMN1; SMN2
SCHEMBL2556957 0.81 MAPT (0.44) MAPTALDH1A1LMNAARSMN1; SMN2
SCHEMBL2562752 0.80 KDM4E (0.43) MAPTALDH1A1SMN1; SMN2
SCHEMBL2554929 0.80 ADRA1A (0.45) MAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL2553324 0.74 CHRM4 (0.40) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29377204 0.72 UBE2T (0.51) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL29951800 0.72 CYP11B1 (0.40) UBE2TMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL676085 0.72 UBE2T (0.51) UBE2TMAPTALDH1A1LMNAALOX12

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