SCHEMBL7449901

SCHEMBL7449901

CSc1ccccc1CC[C@@H](NC(=O)c1c[nH]cn1)[C@H](C)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
PTGER1 P34995 1/20 0.33
ACACB O00763 1/20 0.33
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7448681 0.90 KMT2A (0.40) ATMKMT2AMEN1MMP9MMP8
SCHEMBL7452291 0.88 MEN1 (0.37) ATMKMT2AMEN1ALDH1A1MMP9
SCHEMBL7448880 0.87 PTGER1 (0.37) ATMMMP9MMP8PTGER1ACACB
SCHEMBL7827665 0.86 APLNR (0.37) KMT2AMEN1TDP1
SCHEMBL7448644 0.86 ATM (0.35) ATMKMT2AALDH1A1PKMCNR1
SCHEMBL7449545 0.86 KMT2A (0.40) KMT2AALDH1A1HPGD
SCHEMBL7457342 0.86 KMT2A (0.40) KMT2AALDH1A1HPGD
SCHEMBL7450779 0.85 CTSG (0.37) ATMMMP9MMP8PTGER1ACACB
SCHEMBL7453353 0.84 CNR1 (0.38) ATMKMT2AMEN1MMP9MMP8
SCHEMBL7449714 0.84 MMP9 (0.38) ATMMMP9MMP8PTGER1TDP1

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
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed