SCHEMBL17756756

SCHEMBL17756756

[15NH2]CC[15N]1CCN(CCC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIGMAR1 Q99720 3/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 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
SCHEMBL19658319 0.92 SMN1; SMN2 (0.36) SMN1; SMN2L3MBTL1TP53ALDH1A1KDM4E
SCHEMBL26382118 0.86 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1TP53ALDH1A1KDM4E
SCHEMBL13069250 0.81 PSMB8 (0.35) KMT2A
SCHEMBL19643061 0.81 GLA (0.49) SMN1; SMN2L3MBTL1TP53ALDH1A1MAPT
SCHEMBL20976685 0.81 MEN1 (0.35) SMN1; SMN2ALDH1A1KDM4EMAPTPOLB
SCHEMBL16250588 0.81 MGLL (0.30) SMN1; SMN2
SCHEMBL17756753 0.79 GNAI3 (0.36) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17756744 0.79 NPSR1 (0.37) SMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL17762753 0.79 GNAI3 (0.36) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17762735 0.79 NPSR1 (0.37) SMN1; SMN2ALDH1A1KDM4EKMT2A

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-20160139140-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2016-05-19 — — US disclosed
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