SCHEMBL8549445

SCHEMBL8549445

CC[C@H](C)[C@H](N)C(=O)NCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
MAPK1 P28482 2/20 0.61
MAPT P10636 1/20 0.61
GAA P10253 2/20 0.57
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 1/20 0.55
POLB P06746 2/20 0.51
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
TERT O14746 1/20 0.44

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
SCHEMBL2141946 1.00 LMNA (0.61) LMNAMAPK1MAPTGAAALDH1A1
SCHEMBL12310782 0.86 LMNA (0.61) LMNAMAPK1MAPTGAAALDH1A1
SCHEMBL8155147 0.85 ANPEP (0.57) MAPTGAAALDH1A1CYP3A4KMT2A
SCHEMBL4746610 0.85 ANPEP (0.57) MAPTGAAALDH1A1CYP3A4KMT2A
SCHEMBL7432155 0.85 ANPEP (0.57) MAPTGAAALDH1A1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL7328710 0.85 LMNA (0.60) LMNAMAPK1MAPTGAAALDH1A1
SCHEMBL3668459 0.84 CA1 (0.47) KMT2ATERT
SCHEMBL4747242 0.84 MEN1 (0.56) GAAALDH1A1POLBPKMKMT2A
Hydrochloric Acid SCHEMBL8617714 0.84 ANPEP (0.56) MAPTGAAALDH1A1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL8617723 0.84 ANPEP (0.56) MAPTGAAALDH1A1CYP3A4KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed