SCHEMBL12266379

SCHEMBL12266379

Cc1ccc(B(OCCN2CCCCC2)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.49
▸ HRH1 P35367 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ PSMB1 P20618 4/20 0.41
▸ PSMB5 P28074 4/20 0.41
▸ PSMB2 P49721 3/20 0.41

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
SCHEMBL12271077 0.93 MEN1 (0.48) SMN1; SMN2HRH3HRH1TDP1KDM4E
SCHEMBL2406071 0.81 SMN1; SMN2 (0.45) SMN1; SMN2TDP1KDM4EKMT2A
SCHEMBL12319348 0.80 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EMEN1KMT2ADRD3
SCHEMBL12266409 0.80 HRH3 (0.49) SMN1; SMN2HRH3HRH1KDM4EDRD2
SCHEMBL13383628 0.77 HRH3 (0.51) SMN1; SMN2HRH3HRH1KDM4EDRD2
SCHEMBL82435 0.75 HRH3 (0.73) HRH3KDM4EMAPK14PSMB1PSMB5
SCHEMBL12035585 0.75 HRH3 (0.73) HRH3KDM4EMAPK14PSMB1PSMB5
SCHEMBL12271044 0.74 CYP1A2 (0.55) SMN1; SMN2HRH1TDP1KDM4EMEN1
SCHEMBL12266420 0.74 KDM4E (0.55) SMN1; SMN2HRH3HRH1KDM4EDRD2
Hydrochloric Acid SCHEMBL6473996 0.73 HRH3 (0.71) HRH3KDM4EMAPK14PSMB1PSMB5

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-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 — — US disclosed
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