SCHEMBL8919664

SCHEMBL8919664

Nc1c(S(=O)(=O)Oc2ccc(NC(=O)CI)cc2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CA2 P00918 6/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 5/20 0.45
CA12 O43570 4/20 0.45
ENPP1 P22413 4/20 0.42
ENPP2 Q13822 3/20 0.42
ENPP3 O14638 3/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8928013 0.72 MAPT (0.40) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL9508261 0.72 MEN1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL22187492 0.72 CA2 (0.63) POLBCA2CA1CA9CA12
SCHEMBL1177112 0.68 POLB (0.49) POLBENPP1ENPP2ENPP3LMNA
SCHEMBL9508266 0.68 KMT2A (0.39) POLBCA2CA1CA9CA12
SCHEMBL22187371 0.68 ENPP1 (0.57) POLBCA2CA1CA9CA12
SCHEMBL8928012 0.68 CA2 (0.48) POLBCA2CA1CA9CA12
SCHEMBL22187161 0.67 CA2 (0.56) POLBCA2CA1CA9CA12
SCHEMBL30579835 0.67 CA2 (0.56) POLBCA2CA1CA9CA12
SCHEMBL15444335 0.66 MAPT (0.59) POLBLMNAMEN1KMT2AALDH1A1

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
EP-0758681-A2 Inhibiting transformation of cells having elevated purine metabolic enzyme activity MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1997-02-19 EP disclosed