SCHEMBL6954282

SCHEMBL6954282

O=C1C(=Cc2ccccc2Cl)CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.68
MAOB P27338 2/20 0.64
MAPT P10636 7/20 0.58
PKM P14618 3/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
TP53 P04637 1/20 0.57
CYP19A1 P11511 3/20 0.56
CYP11B2 P19099 1/20 0.56
MAPK1 P28482 1/20 0.56
DYRK2 Q92630 1/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
STAT3 P40763 1/20 0.55
STAT1 P42224 1/20 0.55

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
SCHEMBL12948683 0.84 MAOB (0.64) MIFMAOBMAPTPKMNFKB1
SCHEMBL980276 0.84 MAOB (0.64) MIFMAOBMAPTPKMNFKB1
SCHEMBL30832112 0.81 MAPT (0.83) MIFMAOBMAPTPKMNFKB1
SCHEMBL12948685 0.79 MAPT (0.84) MIFMAOBMAPTPKMNFKB1
SCHEMBL28095979 0.78 MAPT (0.65) MIFMAOBMAPTPKMSMN1; SMN2
SCHEMBL11821606 0.78 DYRK2 (0.69) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL11845990 0.78 DYRK2 (0.69) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL11821611 0.78 DYRK2 (0.69) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL11845989 0.78 DYRK2 (0.69) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL8543003 0.78 MAOB (1.00) MIFMAOBMAPTPKMSMN1; SMN2

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
EP-1023063-B1 INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2003-09-10 EP disclosed