SCHEMBL5226625

SCHEMBL5226625

O=C(Cl)c1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 2/20 0.49
SLC6A7 Q99884 2/20 0.49
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.47
AKR1C3 P42330 2/20 0.46
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
STAT1 P42224 1/20 0.46

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
SCHEMBL335061 0.85 KDM4E (0.61) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL12306045 0.84 LMNA (0.48) LMNAALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL10876210 0.84 GFER (0.65) LMNAALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL6334379 0.83 LMNA (0.47) LMNAALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL6334381 0.83 LMNA (0.47) LMNAALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL3028108 0.82 MAPT (0.69) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL632099 0.81 LMNA (0.68) LMNAALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL4129285 0.81 MAPT (0.61) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL62896 0.80 NPC1 (0.63) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL3466014 0.79 TDP1 (0.64) LMNAALDH1A1MAPTHSD17B10SMN1; SMN2

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
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN disclosed
EP-1799663-A1 MODULATORS OF HCV REPLICATION Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-06-27 EP disclosed
WO-2006038039-A1 MODULATORS OF HCV REPLICATION ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-04-13 WO disclosed