SCHEMBL8003877

SCHEMBL8003877

Nc1ccc(S(=O)(=O)c2ccc(N)c(O)c2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.54
MPO P05164 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 2/20 0.52
PKM P14618 2/20 0.52
HKDC1 Q2TB90 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NT5E P21589 1/20 0.45
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
AGO2 Q9UKV8 2/20 0.42
CA14 Q9ULX7 2/20 0.42
USP2 O75604 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL28902259 0.84 GAA (0.44) HTR6TSHRCYP3A4CYP2C9ALDH1A1
SCHEMBL927344 0.77 HTR6 (0.58) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL7865326 0.76 HKDC1 (0.57) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL17774709 0.75 HTR6 (0.62) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL1703357 0.75 HTR6 (0.60) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL11079690 0.74 MEN1 (0.55) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL27800252 0.74 AURKA (0.50) TSHRLMNACYP3A4CYP2C9ALDH1A1
SCHEMBL10683147 0.74 HKDC1 (0.71) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL8852806 0.73 HTR6 (0.56) HTR6TSHRALDH1A1PKMHKDC1
SCHEMBL11029613 0.73 PKM (0.47) HTR6TSHRLMNAMPOCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023168-A4 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT US NAVY (US) 2000-12-20 EP disclosed
EP-1023168-A1 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE NAVY (US) 2000-08-02 EP disclosed
WO-1999017928-A1 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT THE GOVERNMENT OF THE UNITED STATES, REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-04-15 WO disclosed