SCHEMBL12307258

SCHEMBL12307258

CCC(=O)NCCC(C)N1CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CCR5 P51681 1/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ PSMB5 P28074 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL16314010 0.84 SMN1; SMN2 (0.37) SMN1; SMN2TP53ALDH1A1CCR5POLB
SCHEMBL12254884 0.81 NPSR1 (0.42) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL21985484 0.78 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL27413462 0.77 CYP2C19 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL23344403 0.76 GAA (0.41) SMN1; SMN2TP53ALDH1A1CCR5HSD17B10
SCHEMBL20407539 0.76 CCR5 (0.33) SMN1; SMN2TP53CCR5HSD17B10
SCHEMBL1285155 0.76 MEN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL21227418 0.74 ALDH1A1 (0.59) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL23709496 0.74 TP53 (0.49) MEN1KMT2ASMN1; SMN2TP53MTNR1A
SCHEMBL16313927 0.73 CCR5 (0.30) MEN1KMT2ACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022113-B2 Composition containing aziridino groups and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-20 — — US disclosed
EP-1984427-B1 COMPOSITION CONTAINING AZIRIDINO GROUPS AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2009-10-28 — — EP disclosed
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