SCHEMBL8444010

SCHEMBL8444010

COC(=O)c1cc(C(=O)O)cc(-c2c(C(F)F)oc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.45
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
TTR P02766 4/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8444491 0.91 TNKS (0.44) TNKSKDM4ETTRPTPN1MAPT
SCHEMBL8442828 0.86 TNKS (0.46) TNKSKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8440006 0.82 ALDH1A1 (0.41) TNKSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8444466 0.81 HDAC8 (0.42) TNKSKMT2AKDM4EMEN1L3MBTL1
SCHEMBL8576273 0.81 TMEM97 (0.40) TNKSKMT2AKDM4EMEN1TSHR
Hydrochloric Acid SCHEMBL8440657 0.80 KDM4E (0.42) KMT2AKDM4EMEN1L3MBTL1ALDH1A1
SCHEMBL27359860 0.80 TNKS (0.49) TNKSKMT2AKDM4EMEN1ATM
SCHEMBL8441277 0.75 MAPT (0.44) KMT2AKDM4EMEN1GPR84ATM
SCHEMBL8441434 0.74 TTR (0.48) TNKSKDM4ETTRL3MBTL1PTPN1
SCHEMBL8443666 0.72 KDM4E (0.39) KMT2AKDM4EMEN1GPR84L3MBTL1

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-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed