SCHEMBL7962009

SCHEMBL7962009

c1ccc(-c2noc(-c3ccccc3OCCN3CCCCC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 2/20 0.51
TTR P02766 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTPN1 P18031 2/20 0.49
TSHR P16473 1/20 0.49
HRH1 P35367 2/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48

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
SCHEMBL7957021 0.99 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5734066 0.90 MAPT (0.55) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5733357 0.90 KDM4E (0.63) KDM4EKMT2AMEN1LMNAPOLB
SCHEMBL7952011 0.85 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7957043 0.84 USP2 (0.64) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL7947674 0.81 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14970458 0.81 KDM4E (0.86) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14175879 0.81 TDP1 (0.53) KDM4ESMN1; SMN2KMT2AMEN1PTPN1
SCHEMBL7947543 0.80 PTPN1 (0.55) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7012697 0.79 KDM4E (0.84) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1

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-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed