SCHEMBL27933784

SCHEMBL27933784

[CH2]C(C)(O)Cc1ccc(N)cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
MAPK8 P45983 1/20 0.30

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
SCHEMBL19782445 0.85 KDM4E (0.38) KDM4EPOLBRAB9AADRA2AADRA2B
SCHEMBL30189703 0.85 KDM4E (0.38) KDM4EPOLBRAB9AADRA2AADRA2B
SCHEMBL27933780 0.80 GBA1 (0.41) KDM4ERAB9AADRA2AADRA2BADRA2C
SCHEMBL31508083 0.72 CA12 (0.41) KDM4EPOLBRAB9AADRA2AADRA2B
SCHEMBL747715 0.71
SCHEMBL30912708 0.71
SCHEMBL28151818 0.71
SCHEMBL852810 0.71
Hydrochloric Acid SCHEMBL27686002 0.70 ADRA2A (0.44) KDM4ERAB9AADRA2AADRA2BADRA2C
SCHEMBL15986902 0.69 KDM4E (0.33) KDM4EPOLBRAB9AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103237800-A Amide derivatives and use thereof MITSUBISHI TANABE PHARMA CORP 2013-08-07 CN disclosed