SCHEMBL14224955

SCHEMBL14224955

C=C(CCCCC)N1CCC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
GNAI3 P08754 8/20 0.41
GNAO1 P09471 8/20 0.41
GNAI1 P63096 8/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LIPE Q05469 1/20 0.34

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
SCHEMBL19525548 0.83 NPC1 (0.39) MEN1KMT2AMAPTPOLBGNAI3
SCHEMBL19621275 0.79 NPC1 (0.39) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL20034969 0.78 MEN1 (0.71) MEN1KMT2AMAPTPOLBGNAI3
SCHEMBL21308333 0.77 MAPT (0.43) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL27399806 0.76 GNAI3 (0.47) MEN1KMT2APOLBGNAI3GNAO1
SCHEMBL25824843 0.76 NPC1 (0.47) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL20633386 0.74 PHGDH (0.39) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL3663914 0.74 MEN1 (0.81) MEN1KMT2AMAPTPOLBGNAI3
SCHEMBL5141324 0.74 L3MBTL1 (0.59) MEN1KMT2AGNAI3GNAI1NPC1
SCHEMBL22047826 0.73 MEN1 (0.36) MEN1KMT2AMAPTPOLBGNAI3

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-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed