SCHEMBL3987433

SCHEMBL3987433

NC(Cc1ccccc1F)C(O)Cc1ncccc1C(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
NSD2 O96028 1/20 0.47
KMT2A Q03164 4/20 0.45
MAPK8 P45983 2/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL268363 1.00 LMNA (0.47) LMNANSD2KMT2AMAPK8ATM
SCHEMBL270028 0.90 RAB9A (0.52) LMNAKMT2AEGLN1ALDH1A1MEN1
SCHEMBL270246 0.90 HPGD (0.51) LMNAKMT2AMAPK8GAAHPGD
Hydrochloric Acid SCHEMBL269795 0.89 RAB9A (0.51) LMNAKMT2AEGLN1ALDH1A1MEN1
SCHEMBL268272 0.88 LMNA (0.48) LMNAKMT2AMAPK8HPGDL3MBTL1
SCHEMBL268900 0.88 KMT2A (0.53) LMNAKMT2AHPGDALDH1A1MEN1
SCHEMBL268989 0.88 LMNA (0.45) LMNAKMT2AMAPK8GAAL3MBTL1
Hydrochloric Acid SCHEMBL270565 0.87 LMNA (0.47) LMNAKMT2AMAPK8HPGDL3MBTL1
Hydrochloric Acid SCHEMBL270684 0.87 LMNA (0.44) LMNAKMT2AMAPK8GAAL3MBTL1
SCHEMBL268886 0.86 NPC1 (0.42) LMNAKMT2AMAPK8ATML3MBTL1

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-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed