SCHEMBL11315992

SCHEMBL11315992

CC1=CC(=O)C(N)=CC1=Nc1ccc(O)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RNASEL Q05823 1/20 0.33
BACE1 P56817 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 4/20 0.31
ESR2 Q92731 3/20 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
SCHEMBL11313884 0.82 PABPC1 (0.38) BACE1
SCHEMBL11402693 0.81 KDM4E (0.34) RNASELKDM4EMEN1LMNAPOLB
SCHEMBL11404901 0.80 MEN1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL10801464 0.78 BACE1 (0.32) BACE1
SCHEMBL11719356 0.77 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL11410974 0.77 PABPC1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL13525191 0.73 HSD17B10 (0.35) RNASELBACE1HSD17B10KDM4EMEN1
SCHEMBL11405796 0.73 RNASEL (0.38) CA12CA9RNASELBACE1HSD17B10
SCHEMBL10787311 0.72 CYP3A4 (0.35) CA12CA1CA2CA7CA9
SCHEMBL17253282 0.72 DNM1 (0.34) CA12CA1CA2CA7CA9

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-4248591-A HAIR DYES L'OREAL (FR) 1981-02-03 US disclosed