SCHEMBL8634739

SCHEMBL8634739

CC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
P2RX7 Q99572 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL8632400 0.82 MEN1 (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL8701209 0.75 L3MBTL1 (0.37) CA12CA1CA2CA9KMT2A
SCHEMBL8699754 0.74 L3MBTL1 (0.36) CA12CA1CA2CA9KMT2A
SCHEMBL8630930 0.69 SMN1; SMN2 (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL8696712 0.67 ESR1 (0.45) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL6670342 0.66 CA12 (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL8637224 0.64 POLB (0.38) CA12CA1CA2CA9KMT2A
SCHEMBL8631456 0.64 ALDH1A1 (0.56) CA12CA1CA2CA9KMT2A
SCHEMBL171845 0.63 MAPT (0.63) KMT2AMEN1MAPTGAALMNA
SCHEMBL18590696 0.63 CHKA (0.67) CA12CA1CA2CA9MAPT

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed