SCHEMBL3826536

SCHEMBL3826536

CNc1ccc(-c2[nH]c(-c3ccccc3/C=C/c3nc4ccccc4s3)nc2-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ APP P05067 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ INSR P06213 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NOX1 Q9Y5S8 1/20 0.45
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALOX5 P09917 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ MGAM O43451 1/20 0.35

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
SCHEMBL6607624 0.94 MEN1 (0.55) MEN1KMT2AMAPTAPPRAB9A
SCHEMBL3824183 0.81 NOX1 (0.45) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL6609826 0.73 NOX1 (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL3830694 0.72 MEN1 (0.37) MEN1KMT2AMAPTRAB9ANOX1
SCHEMBL8720952 0.72 MAPT (0.43) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL3828923 0.69 NOX1 (0.40) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL29413750 0.68 MEN1 (1.00) MEN1KMT2AMAPTAPPRAB9A
SCHEMBL476578 0.68 MEN1 (1.00) MEN1KMT2AMAPTAPPRAB9A
SCHEMBL11310551 0.68 MEN1 (0.62) MEN1KMT2AMAPTAPPRAB9A
SCHEMBL476579 0.68 MEN1 (1.00) MEN1KMT2AMAPTAPPRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 — — EP disclosed
EP-2082740-A2 Use of imidazole derivatives as MDR modulators Taiji Biomedical, Inc. (US) 2009-07-29 — — EP disclosed
EP-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 — — EP disclosed
EP-0999835-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS Ontogen Corporation (US) 2000-05-17 — — EP disclosed
WO-1999002155-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORPORATION (US) 1999-01-21 — — WO disclosed
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