SCHEMBL6808375

SCHEMBL6808375

CCC(=O)c1ccnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL16887637 0.88 NSD2 (0.55) NSD2ALDH1A1LMNAHDAC6KDM4E
SCHEMBL9365332 0.84 GABRA1 (0.48) NSD2ALDH1A1LMNACYP3A4HPGD
SCHEMBL9701619 0.83 NSD2 (0.47) NSD2ALDH1A1LOXL2LMNACYP3A4
SCHEMBL1882353 0.83 PTPN1 (0.54) NSD2ALDH1A1LOXL2LMNACYP3A4
SCHEMBL27491389 0.83 NSD2 (0.46) NSD2ALDH1A1LOXL2LMNACYP3A4
SCHEMBL827639 0.80 MEN1 (0.47) NSD2ALDH1A1LOXL2LMNACYP1A2
SCHEMBL27359351 0.80 HDAC3 (0.44) NSD2ALDH1A1LOXL2LMNACYP3A4
SCHEMBL23193358 0.80 NCF1 (0.50) NSD2LOXL2CYP1A2HDAC3HDAC4
SCHEMBL28905179 0.79 OPRD1 (0.47) ALDH1A1LMNAHPGDHTR2CHTR2B
SCHEMBL29523397 0.79 NUDT1 (0.57) ALDH1A1LMNACYP3A4HPGDRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109467549-B Quinoline-substituted chalcone compound, preparation method and application thereof 中国药科大学 2021-02-09 CN disclosed
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 WO disclosed
US-RE38520-E1 ANTIOBIOTICS AGAINST GRAMPOSITIVE BACTERIA SUCH AS STAPHYLOCOCCUS, STREPTOCOCCUS, OR PNEUMOCOCCUS; FUSED RING CARBAMYLATED DERIVATIVE AVENTIS PHARMA S.A. (FR) 2004-05-18 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP disclosed
EP-0885234-B1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS AVENTIS PHARMA SA (FR) 2002-05-15 EP disclosed
CN-1067077-C Erythromycin derivant and preparation method and usage of medicine thereof ROUSSEL UCLAF (FR) 2001-06-13 CN disclosed
US-6096714-A EFFECTIVE ANTIBIOTIC AGAINST STAPHYLOCOCCUS, STREPTOCOCCUS, PNEUMOCOCCUS, NEISSERIA, MYCOBACTERIA HOECHST MARION ROUSSEL (FR) 2000-08-01 US disclosed
EP-0885234-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS HOECHST MARION ROUSSEL (FR) 1998-12-23 EP disclosed
EP-0716093-B1 Erythromycin derivatives, their process of preparation and application as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-21 EP disclosed
US-5786339-A Erythromycins ROUSSEL UCLAF (FR) 1998-07-28 US disclosed
WO-1997031929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS HOECHST MARION ROUSSEL (FR) 1997-09-04 WO disclosed
EP-0716093-A1 Erythromycin derivatives, their process of preparation and application as medicaments ROUSSEL UCLAF (FR) 1996-06-12 EP disclosed