SCHEMBL3124563

SCHEMBL3124563

Nc1ccc(C(=O)NCC2CCCN(C(=O)O)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.57
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 4/20 0.55
TPSAB1 Q15661 1/20 0.55
MEN1 O00255 2/20 0.51
BCHE P06276 2/20 0.47
CA2 P00918 1/20 0.47
GAA P10253 1/20 0.45
MLYCD O95822 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MAOB P27338 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
SCHEMBL3123586 0.84 KDM4E (0.54) KDM4ETPSAB1CA2MLYCDHDAC6
SCHEMBL3765452 0.83 ACKR3 (0.60) ALDH1A1LMNAKDM4EKMT2ATPSAB1
SCHEMBL13056746 0.83 ACKR3 (0.60) ALDH1A1LMNAKDM4EKMT2ATPSAB1
SCHEMBL24331631 0.81 CA2 (0.67) KDM4EKMT2AMEN1CA2MLYCD
SCHEMBL13212977 0.80 CA2 (0.69) KDM4EKMT2AMEN1CA2MLYCD
SCHEMBL14720130 0.80 CHIT1 (0.52) ALDH1A1LMNAKDM4EKMT2ATPSAB1
SCHEMBL4592027 0.80 KMT2A (0.54) ALDH1A1LMNAKDM4EKMT2ATPSAB1
SCHEMBL8716820 0.79 TPSAB1 (0.65) ALDH1A1LMNAKDM4EKMT2ATPSAB1
SCHEMBL8716814 0.79 TPSAB1 (0.65) ALDH1A1LMNAKDM4EKMT2ATPSAB1
SCHEMBL27380497 0.79 TPSAB1 (0.65) ALDH1A1LMNAKDM4EKMT2ATPSAB1

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
WO-2010055304-A2 PHARMACEUTICAL COMPOUNDS SAREUM LIMITED (GB) 2010-05-20 WO disclosed
EP-2170849-A1 OXAZOLE TYROSINE KINASE INHIBITORS Sareum Limited (GB) 2010-04-07 EP disclosed
WO-2008139161-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2008-11-20 WO disclosed