SCHEMBL26537626

SCHEMBL26537626

C=C(/N=C(N)\N=C(/C)N1CCOCC1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA9 Q16790 3/20 0.31
CA2 P00918 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
HTT P42858 2/20 0.31
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
MGLL Q99685 1/20 0.31
MTOR P42345 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL13622850 0.71 LMNA (0.56) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL23505741 0.70 SMN1; SMN2 (0.37) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL19861950 0.68 SMN1; SMN2 (0.50) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL17236510 0.68 SMN1; SMN2 (0.50) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL1105467 0.68 SMN1; SMN2 (0.50) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL24070337 0.68 CA12 (0.41) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL8252369 0.67
SCHEMBL20049899 0.67 SMN1; SMN2 (0.34) LMNASMN1; SMN2
SCHEMBL14525969 0.67
SCHEMBL15805489 0.67 SMN1; SMN2 (0.41) LMNASMN1; SMN2CA12CA1CA9

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
WO-2023187783-A1 COMPOUNDS USABLE AS MODULATORS OF PERK ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2023-10-05 WO disclosed