SCHEMBL3824090

SCHEMBL3824090

CNc1ccc(-c2nc(-c3ccccc3/C=C/C(=O)OC)[nH]c2-c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 1/20 0.41
▸ CCNE2 O96020 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ MAPT P10636 6/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ RAB9A P51151 3/20 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
SCHEMBL3824756 0.99 SELP (0.40) SELPCCNE2CDK4CCND1CCNE1
SCHEMBL3829650 0.84 RAF1 (0.39) POLBKDM4EROCK1KMT2AMGAM
SCHEMBL6608185 0.81 RAF1 (0.43) POLBKDM4EMAPTKMT2AMGAM
SCHEMBL3826599 0.79 MEN1 (0.37) POLBKDM4EMAPTKMT2AMGAM
SCHEMBL3825381 0.79 KDM4E (0.36) SELPCCNE2CDK4CCND1CCNE1
SCHEMBL13780575 0.79 MAPT (0.47) SELPPRKDCKDM4EMAPTKMT2A
SCHEMBL13679693 0.72 PTPN1 (0.50) SELPPRKDCKDM4EMAPTKMT2A
SCHEMBL8718582 0.71 KDM4E (0.40) SELPCCNE2CDK4CCND1CCNE1
SCHEMBL13679655 0.70 PTPN1 (0.46) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3824754 0.70 ALOX5 (0.41) POLBKDM4EMAPTKMT2AMEN1

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 6 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
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 — — US disclosed
Send feedback