SCHEMBL8487156

SCHEMBL8487156

COc1ccc(CNOC(C=O)CC(C(=O)OCc2ccccc2)N2CCN(Cc3cccnc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
KLKB1 P03952 1/20 0.40
GFER P55789 1/20 0.40
THRB P10828 1/20 0.39
CHRM4 P08173 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL7370824 0.92 SIGMAR1 (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8488018 0.73 POLB (0.52) POLBALDH1A1MEN1KMT2APKM
SCHEMBL7377176 0.72 SIGMAR1 (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8485433 0.71 KDM4E (0.60) POLBALDH1A1MEN1KMT2APKM
SCHEMBL7374466 0.70 KDM4E (0.52) POLBALDH1A1MEN1KMT2APKM
SCHEMBL8487208 0.67 MEN1 (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8491628 0.67 CYP2D6 (0.48) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL7373091 0.66 SIGMAR1 (0.54) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL24199876 0.64 SIGMAR1 (0.68) POLBALDH1A1PKMKDM4ELMNA
SCHEMBL8487205 0.64 HSD17B10 (0.57) ALDH1A1MEN1KMT2AKDM4ELMNA

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
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed