SCHEMBL30973232

SCHEMBL30973232

CC1(C)COC(c2ccc(-c3cc(Br)cc(Br)c3)cc2)OC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SOAT1 P35610 1/20 0.34
KCNA4 P22459 1/20 0.33
KCNA1 Q09470 1/20 0.33
KCNAB1 Q14722 1/20 0.33
APAF1 O14727 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PGR P06401 1/20 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
SCHEMBL18119746 0.86 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL1179726 0.83 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL22160318 0.81 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL18119744 0.80 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL15890432 0.80 MEN1 (0.55) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL28736723 0.79 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL13701304 0.74 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL3105747 0.73 KDM1A (0.43) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL11460056 0.73 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPK1MEN1
SCHEMBL9636744 0.72 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MAPK1MEN1

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-118146214-A Organic ligand and covalent organic framework material and preparation method thereof 深圳职业技术大学 2024-06-07 CN disclosed