SCHEMBL7963478

SCHEMBL7963478

N#CN=C(N)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA2 P00918 2/20 0.40
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PLA2G7 Q13093 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
ALDH2 P05091 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
MGLL Q99685 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 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
SCHEMBL27218189 0.93 LMNA (0.47) LMNACA12CA1CA9CA2
SCHEMBL18362374 0.80 KDM4E (0.39) LMNACA12CA1CA9CA2
SCHEMBL28469875 0.80 KDM4E (0.39) LMNACA12CA1CA9CA2
SCHEMBL13894059 0.80 KDM4E (0.39) LMNACA12CA1CA9CA2
SCHEMBL23176445 0.78 F2 (0.41) LMNACA12CA1CA9CA2
SCHEMBL28476945 0.78 F2 (0.41) LMNACA12CA1CA9CA2
SCHEMBL13073647 0.77 CA12 (0.37) LMNACA12CA1CA9CA2
SCHEMBL30447084 0.75 KDM4E (0.35) CA12CA1CA9CA2POLB
SCHEMBL12151945 0.75 KDM4E (0.35) CA12CA1CA9CA2POLB
SCHEMBL1937327 0.75 LMNA (0.63) LMNACA12CA1CA9CA2

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed