SCHEMBL6620106

SCHEMBL6620106

CC1(C)C2C(=O)NC(=O)C1C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 6/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CTSG P08311 2/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
CMA1 P23946 1/20 0.47
CTRC Q99895 1/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRTN3 P24158 1/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46

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
SCHEMBL12469648 0.80 ELANE (0.59) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL9909016 0.80 ELANE (0.59) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL6621178 0.79 KMT2A (0.54) ELANEMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6621853 0.75 ALDH1A1 (0.55) ELANEMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6742469 0.73 ELANE (0.56) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL14189455 0.73 ELANE (0.56) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL10031595 0.73 KMT2A (0.66) ELANEMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9975770 0.73 KMT2A (0.66) ELANEMEN1KMT2AALDH1A1CYP1A2
SCHEMBL16775234 0.73 KMT2A (0.70) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL16759895 0.73 KMT2A (0.70) ELANEMEN1KMT2AALDH1A1CTSG

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