SCHEMBL8996426

SCHEMBL8996426

COS(=O)(=O)c1c(-c2nc3ccccc3[nH]2)cc(OC(C)=O)c2c1C(=O)c1cccc(OC(C)=O)c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
USP2 O75604 3/20 0.43
MEN1 O00255 3/20 0.43
TTR P02766 2/20 0.43
CASP3 P42574 2/20 0.43
HTT P42858 2/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CHRM2 P08172 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL8996601 0.84 PDE5A (0.48) RAB9ANPC1KMT2AKDM4EHPGD
SCHEMBL8996340 0.80 KDM4E (0.54) RAB9ANPC1KMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL8996365 0.79 KDM4E (0.53) RAB9ANPC1KMT2AKDM4EHPGD
SCHEMBL8996422 0.79 KMT2A (0.50) RAB9ANPC1KMT2AKDM4EHPGD
SCHEMBL8996330 0.68 AMY1A (0.54) RAB9ANPC1KMT2AKDM4EHPGD
SCHEMBL11526060 0.68 EGFR (0.63) RAB9ANPC1KMT2AKDM4EHPGD
SCHEMBL11101186 0.67 TTR (0.72) RAB9ANPC1KMT2AKDM4EHPGD
SCHEMBL5613348 0.67 ALDH1A1 (0.73) KMT2AKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL12545953 0.66 PDE5A (0.55) RAB9ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL8996409 0.66 KDM4E (0.64) KMT2AKDM4EHPGDSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed