SCHEMBL30793979

SCHEMBL30793979

CC(NCCN1C(=O)c2ccccc2C1=O)NCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.50
CASP3 P42574 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAOB P27338 4/20 0.48
OGA O60502 1/20 0.47
HEXA P06865 1/20 0.47
HEXB P07686 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46

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
SCHEMBL4750336 0.89 GLS (0.50) GLSCASP3MAOBOGAHEXA
SCHEMBL8489619 0.82 CA12 (0.47) CASP3SMN1; SMN2HDAC8HDAC3HDAC4
SCHEMBL3186877 0.80 KMT2A (0.48) CASP3SMN1; SMN2MAOBALDH1A1HDAC1
SCHEMBL3186901 0.80 KMT2A (0.48) CASP3SMN1; SMN2MAOBALDH1A1HDAC1
SCHEMBL4388842 0.79 GLS (0.55) GLSOGAHEXAHEXB
SCHEMBL30839867 0.79 GLS (0.55) GLSOGAHEXAHEXB
SCHEMBL805142 0.79 OGA (0.70) GLSCASP3NPC1RAB9ASMN1; SMN2
SCHEMBL5049343 0.79 ALDH1A1 (0.48) GLSSMN1; SMN2MAOBALDH1A1
SCHEMBL12612148 0.78 RPS6KA2 (0.54) GLSCASP3ALDH1A1
SCHEMBL2909670 0.78 CYP3A4 (0.51) RAB9ASMN1; SMN2HDAC1HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565559-A1 METHOD FOR TRIETHYLENETETRAMINE PURIFICATION Philera New Zealand Ltd. (NZ) 2025-06-11 EP disclosed
WO-2024033786-A1 METHOD FOR TRIETHYLENETETRAMINE PURIFICATION PHILERA NEW ZEALAND LTD. (NZ) 2024-02-15 WO disclosed
US-20240043370-A1 METHOD FOR TRIETHYLENETETRAMINE PURIFICATION PHILERA NEW ZEALAND LTD. (NZ) 2024-02-08 US disclosed