SCHEMBL5371849

SCHEMBL5371849

O=[C]c1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
STAT3 P40763 1/20 0.56
POLB P06746 1/20 0.52
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HSP90AA1 P07900 1/20 0.52
ALDH1A1 P00352 3/20 0.51
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
AKR1C3 P42330 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A7 Q99884 1/20 0.49
PHGDH O43175 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5427258 0.78 ALDH1A1 (0.57) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL9585721 0.77 POLB (0.81) MAPTKMT2APOLBLMNAHSD17B10
SCHEMBL10722382 0.77 POLB (0.81) MAPTKMT2APOLBLMNAHSD17B10
SCHEMBL24158074 0.75 LMNA (0.85) MEN1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL2366564 0.74 ALDH1A1 (0.63) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL20524582 0.72 ALDH1A1 (0.65) MEN1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL9978124 0.72 MEN1 (1.00) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL22711992 0.71 MAPT (0.66) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL30323020 0.71 MAPT (0.66) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL6705171 0.71 LMNA (0.88) MEN1MAPTKMT2ASMN1; SMN2MAPK1

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
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed