SCHEMBL6566878

SCHEMBL6566878

O=C(Nc1ccccc1)Nc1cc(-c2nc3ccccc3s2)cc(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
GAA P10253 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
MGLL Q99685 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.48
PKM P14618 1/20 0.48
NAMPT P43490 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
SCHEMBL6568583 0.87 ALOX5 (0.58) MAPTRXFP1MGLLSMN1; SMN2TP53
SCHEMBL4505884 0.86 TP53 (0.52) MAPTNPC1RAB9AGAANFKB1
SCHEMBL6524162 0.85 NAMPT (0.57) MAPTNPC1RAB9AGAAMEN1
SCHEMBL6526530 0.85 MAPT (0.51) MAPTNPC1RAB9AGAAMEN1
SCHEMBL6568636 0.85 KDM4E (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6519124 0.84 MAPT (0.47) MAPTNPC1RAB9AKDM4EMMP2
SCHEMBL4347962 0.83 MAPT (0.48) MAPTNPC1RAB9AGAAMEN1
SCHEMBL4348870 0.83 MAPT (0.47) MAPTNPC1RAB9AGAAMEN1
SCHEMBL6565522 0.83 RAB9A (0.56) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL4350091 0.81 MAPT (0.53) MAPTNPC1RAB9AGAANFKB1

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
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed