SCHEMBL11682805

SCHEMBL11682805

CC1CCN(C(Br)C(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.37
POLB P06746 3/20 0.36
HTT P42858 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ACHE P22303 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11681642 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL11681136 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL14878189 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL7338565 0.76 DPP7 (0.36) LMNAGAAEPHX1
SCHEMBL9232932 0.74 DPP7 (0.39) ALDH1A1LMNAGAAEPHX1
SCHEMBL29955064 0.72 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL7369696 0.71 KDM4E (0.42) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL8809418 0.71 OPRD1 (0.39) MEN1KMT2ACA12CA1CA2
SCHEMBL10479179 0.69 MEN1 (0.43) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL28787833 0.68 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPC1POLB

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-4015974-A HERBICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-04-05 US disclosed