Benzene

Benzene

SCHEMBL28275342

COc1c(O)ccc(C=CC(=O)O)c1C.c1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA4 P22748 2/20 0.49
NFKB1 P19838 1/20 0.49
KDM4E B2RXH2 3/20 0.48
PKM P14618 2/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
SNCA P37840 1/20 0.48
CA7 P43166 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CA9 Q16790 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
GAA P10253 1/20 0.44

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
SCHEMBL10875625 0.98 KDM4E (0.49) CA1CA2CA4NFKB1KDM4E
SCHEMBL2535572 0.98 KDM4E (0.49) CA1CA2CA4NFKB1KDM4E
SCHEMBL187151 0.85 KDM4E (0.51) CA1CA2CA4NFKB1KDM4E
SCHEMBL187153 0.85 KDM4E (0.51) CA1CA2CA4NFKB1KDM4E
SCHEMBL28518886 0.84 MAPT (0.56) CA1CA2KDM4ECA12CA7
SCHEMBL21317660 0.84 KDM4E (0.50) CA1CA2CA4NFKB1KDM4E
SCHEMBL6655468 0.84 KDM4E (0.50) CA1CA2CA4NFKB1KDM4E
SCHEMBL5320426 0.82 CA1 (0.50) CA1CA2CA4NFKB1KDM4E
SCHEMBL16048951 0.81 CA1 (0.55) CA1CA2CA4NFKB1KDM4E
SCHEMBL16048950 0.81 CA1 (0.55) CA1CA2CA4NFKB1KDM4E

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-109310660-A Therapeutic combination and application thereof 蜜纽康新西兰有限公司 2019-02-05 CN disclosed