SCHEMBL8604382

SCHEMBL8604382

COc1c(CC(=O)NCCCN)cc(C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PTGS2 P35354 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
HSPA5 P11021 1/20 0.35

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
SCHEMBL8608302 0.93 HSPA5 (0.36) HSPA5
SCHEMBL8607341 0.88 KMT2A (0.39)
SCHEMBL8606820 0.84 HSPA5 (0.50) CA12CA1CA2CA3CA4
SCHEMBL8606925 0.84 CA12 (0.36) CA12CA1CA2CA3CA4
SCHEMBL8608657 0.83 LMNA (0.42)
SCHEMBL8609721 0.82 CA12 (0.48) CA12CA1CA2CA3CA4
SCHEMBL8606369 0.81 KMT2A (0.41) HSPA5
SCHEMBL8604381 0.81 KMT2A (0.35) HSPA5
SCHEMBL8606958 0.81 LMNA (0.39)
SCHEMBL8607393 0.81 NR5A2 (0.41)

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
US-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed