SCHEMBL27976392

SCHEMBL27976392

CCN1CCN(CCC(=O)NCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.54
▸ HTT P42858 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 3/20 0.48
▸ TERT O14746 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ MAPT P10636 2/20 0.42

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
SCHEMBL24412713 0.82 PKM (0.51) PKMHTTL3MBTL1MEN1KMT2A
SCHEMBL10153805 0.81 PKM (0.57) PKMHTTL3MBTL1MEN1KMT2A
SCHEMBL21651998 0.81 KDM4E (0.57) PKMHTTL3MBTL1MEN1KMT2A
SCHEMBL27976671 0.79 HTT (0.68) HTTL3MBTL1MEN1KMT2APOLB
SCHEMBL24412716 0.78 CASP2 (0.59) PKMKDM4EALDH1A1
SCHEMBL10655587 0.78 HSD17B10 (0.62) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL27888690 0.76 POLB (0.58) PKMHTTL3MBTL1MEN1KMT2A
SCHEMBL24872489 0.75 POLB (0.47) PKMHTTL3MBTL1MEN1KMT2A
SCHEMBL14622532 0.74 PAOX (0.52) PKMHTTL3MBTL1MEN1KMT2A
SCHEMBL2113757 0.74 GLA (0.55) PKMHTTL3MBTL1MEN1KMT2A

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
CN-103980079-B Ionic liquid-catalyzed amine and unsaturated acyl amine aza-Michael addition method TAIZHOU UNIVERSITY (CN) 2016-01-13 — — CN disclosed
CN-103980079-A Ionic liquid catalyzed amine and unsaturated amide aza-Michael addition method UNIV TAIZHOU 2014-08-13 — — CN disclosed
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