SCHEMBL8899690

SCHEMBL8899690

O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.51
▸ KMT2A Q03164 7/20 0.46
▸ MAPT P10636 7/20 0.46
▸ MEN1 O00255 6/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.42
▸ RAD51 Q06609 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PKM P14618 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
SCHEMBL22003338 0.88 MEN1 (0.56) ENPP2KMT2AMAPTMEN1ALDH1A1
SCHEMBL9820417 0.86 MEN1 (0.57) ENPP2KMT2AMAPTMEN1ALDH1A1
SCHEMBL9820416 0.86 MEN1 (0.57) ENPP2KMT2AMAPTMEN1ALDH1A1
SCHEMBL455776 0.82 RAD51 (0.56) ENPP2KMT2AMAPTMEN1ALDH1A1
SCHEMBL455775 0.82 RAD51 (0.56) ENPP2KMT2AMAPTMEN1ALDH1A1
SCHEMBL670637 0.82 RAD51 (0.56) ENPP2KMT2AMAPTMEN1ALDH1A1
SCHEMBL29356717 0.82 RAD51 (0.56) ENPP2KMT2AMAPTMEN1ALDH1A1
SCHEMBL22003616 0.82 RAD51 (0.67) ENPP2KMT2AMAPTMEN1ALDH1A1
SCHEMBL26725600 0.81 CD40 (0.53) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL7744489 0.81 RAD51 (0.55) ENPP2KMT2AMAPTMEN1ALDH1A1

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-5681832-A FOR TREATMENT OF VIRAL DISEASES BY SUPPRESSING REPLICATION OF RETROVIRUSES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-10-28 — — US disclosed
WO-1996025399-A1 NOVEL AROYLANILINE DERIVATIVES, COMPOSITIONS AND USES THEREOF IN THE TREATMENT OF VIRAL INFECTIONS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-22 — — WO disclosed
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