SCHEMBL7717129

SCHEMBL7717129

CCCC([C]=O)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.33
CTSS P25774 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
KCNA5 P22460 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7720713 0.84 ALDH1A1 (0.40) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL678969 0.82 SLC6A3 (0.38)
SCHEMBL7515207 0.81 ALDH1A1 (0.41) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL17393081 0.81 KMT2A (0.34) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL9660602 0.77 SIGMAR1 (0.36)
SCHEMBL8904158 0.74 ALDH1A1 (0.36) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL2086387 0.74 TSHR (0.42) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL231163 0.74 KMT2A (0.37) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL16919618 0.73 KMT2A (0.39) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL9738640 0.73 KMT2A (0.39) KMT2AALDH1A1LMNAMAPTHPGD

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-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed