SCHEMBL6959403

SCHEMBL6959403

O=C1c2ccccc2C(=O)N1CCCCn1ccc(-c2cccnc2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 1/20 0.49
NAMPT P43490 2/20 0.48
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1385992 0.80 NAMPT (0.44) NAMPT
SCHEMBL27487465 0.80 NAMPT (0.43) NAMPTALDH1A1
SCHEMBL5025530 0.79 NAMPT (0.42) NAMPTALDH1A1
SCHEMBL5015503 0.79 CYP2A6 (0.44) NAMPTALDH1A1
SCHEMBL5017381 0.79 NAMPT (0.42) NAMPTALDH1A1
SCHEMBL27535692 0.77 CYP2A6 (0.44) NAMPTALDH1A1
SCHEMBL8086804 0.77 CYP2E1 (0.58) KMT2AMAPK1HTTNAMPTGAA
SCHEMBL4260988 0.76 CYP2A6 (0.43) NAMPTALDH1A1
SCHEMBL5016843 0.76 AR (0.45) KMT2ANAMPTALDH1A1
SCHEMBL5017240 0.76 CYP2A6 (0.43) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664398-B2 Reacting a derivative of erythromycin containing imidazole-1-ylcaroxylate with a pyrazolealkylamine derivative, to form a desired antibiotic AVENTIS PHARMA S.A. (FR) 2003-12-16 US disclosed
EP-1004592-B1 Derivatives of erythromycin, their process of preparation and their application as medicaments AVENTIS PHARMA SA (FR) 2003-07-16 EP disclosed
US-6440941-B1 REACTION WITH AMINOALKYL-SUBSTITUTED 1H-PYRAZOLE AVENTIS PHARMA S.A. (FR) 2002-08-27 US disclosed
EP-1004592-A1 Derivatives of erythromycin, their process of preparation and their application as medicaments HOECHST MARION ROUSSEL (FR) 2000-05-31 EP disclosed