SCHEMBL6621178

SCHEMBL6621178

O=C1NC(=O)C2C(=O)N(Cc3ccccc3)C(=O)C1C21CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 3/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 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
SCHEMBL6620106 0.79 ELANE (0.53) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
SCHEMBL4187348 0.75 CYP3A4 (0.53) KMT2AALDH1A1MEN1TSHRHIF1A
SCHEMBL6623233 0.74 ALDH1A1 (0.51) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
SCHEMBL6621853 0.74 ALDH1A1 (0.55) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
SCHEMBL10068628 0.74 ALDH1A1 (0.54) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
SCHEMBL6549403 0.70 KMT2A (0.77) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL21306170 0.70 MAPT (0.31) ALDH1A1MAPK1
SCHEMBL16775234 0.69 KMT2A (0.70) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
SCHEMBL16759895 0.69 KMT2A (0.70) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
SCHEMBL5770320 0.68 ALDH1A1 (0.69) KMT2AALDH1A1MEN1TSHRSMN1; SMN2

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
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed