SCHEMBL9757050

SCHEMBL9757050

O=C(O)C=Cc1cnccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.54
CDK8 P49336 6/20 0.54
EIF2AK2 P19525 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NFKB1 P19838 1/20 0.42
CA4 P22748 1/20 0.42
HSD11B1 P28845 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TBXAS1 P24557 2/20 0.41
KDM4E B2RXH2 2/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL9757045 1.00 CCNC (0.54) CCNCCDK8EIF2AK2CSNK2A2CSNK2B
SCHEMBL23580798 0.86 CCNC (0.73) CCNCCDK8EIF2AK2CSNK2A2CSNK2B
SCHEMBL23580797 0.86 CCNC (0.73) CCNCCDK8EIF2AK2CSNK2A2CSNK2B
SCHEMBL3539836 0.79 CCNC (0.47) CCNCCDK8CA1CA2NFKB1
SCHEMBL16795885 0.79 MAPT (0.48) CCNCCDK8CA1CA2NFKB1
SCHEMBL18169371 0.79 MAPT (0.48) CCNCCDK8CA1CA2NFKB1
SCHEMBL3539831 0.79 CCNC (0.47) CCNCCDK8CA1CA2NFKB1
SCHEMBL9756944 0.76 CCNC (0.45) CCNCCDK8CA1CA2NFKB1
SCHEMBL9756945 0.76 CCNC (0.45) CCNCCDK8CA1CA2NFKB1
SCHEMBL23579958 0.75 MIF (0.53) CCNCCDK8CA1CA2NFKB1

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
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed