SCHEMBL9059934

SCHEMBL9059934

On1c2c(c3ccccc31)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GLA P06280 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.51
HTR6 P50406 3/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 1/20 0.48
BCHE P06276 2/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
CHRM5 P08912 1/20 0.47

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
SCHEMBL21653604 0.77 CA1 (0.57) CA1CA2KDM4EMEN1KMT2A
SCHEMBL30223611 0.77 HTR2A (0.67) CA1CA2KDM4EMEN1KMT2A
SCHEMBL8572018 0.77 CA1 (0.57) CA1CA2KDM4EMEN1KMT2A
SCHEMBL3927394 0.77 HTR2A (0.67) CA1CA2KDM4EMEN1KMT2A
SCHEMBL11755532 0.77 CA1 (0.62) CA1CA2KDM4EMEN1KMT2A
SCHEMBL15307679 0.76 HTR2A (0.65) CA1CA2KDM4EMEN1KMT2A
SCHEMBL21538077 0.76 CA1 (0.58) CA1CA2KDM4EMEN1KMT2A
SCHEMBL20468978 0.76 CA1 (0.58) CA1CA2KDM4EMEN1KMT2A
SCHEMBL16291047 0.75 MEN1 (0.63) CA1CA2KDM4EMEN1KMT2A
SCHEMBL30579465 0.75 MEN1 (0.63) CA1CA2KDM4EMEN1KMT2A

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
JP-8157475-A None JP disclosed
JP-H08157475-A 1-HYDROXYINDOLE DERIVATIVE KISSEI PHARMACEUT CO LTD 1996-06-18 JP disclosed