SCHEMBL27417536

SCHEMBL27417536

CCN1CCC(N2CCN(c3ccc(C=NN)cc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
RAD52 P43351 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GFER P55789 1/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL3 Q96JM7 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
CHRNA7 P36544 1/20 0.41
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FURIN P09958 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39
TP53BP1 Q12888 1/20 0.39

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
SCHEMBL7344483 0.83 ITGB3 (0.48) KMT2AMAPTGAAKDM4ESMN1; SMN2
SCHEMBL6839450 0.83 ITGB3 (0.65) KMT2AMAPTGAAKDM4EITGB3
Methane SCHEMBL7337948 0.82 ITGB3 (0.64) KMT2AMAPTGAAKDM4EITGB3
SCHEMBL27416769 0.82 KDM4E (0.42) KMT2AMAPTGAAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8431413 0.81 ALOX15 (0.64) KMT2AMAPTGAAKDM4EITGB3
SCHEMBL7345353 0.79 ITGB3 (0.47) KMT2AMAPTKDM4ESMN1; SMN2ITGB3
Trifluoroacetic Acid SCHEMBL7341382 0.78 ITGB3 (0.46) KMT2AMAPTGAAKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL7336173 0.78 ITGB3 (0.58) KMT2AMAPTGAAKDM4ESMN1; SMN2
SCHEMBL7441385 0.76 KDM4E (0.40) KMT2AMAPTGAAKDM4ESMN1; SMN2
Iodomethane SCHEMBL9367652 0.76 KDM4E (0.42) KMT2AMAPTGAAKDM4ESMN1; SMN2

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
CN-1090273-A Acetogenin GLAXO GROUP LTD (GB) 1994-08-03 CN claimed