SCHEMBL30856930

SCHEMBL30856930

O=[N+]([O-])c1c(F)cccc1Oc1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.63
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
VEGFA P15692 1/20 0.46
CETP P11597 1/20 0.44
RHEB Q15382 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
SLC6A4 P31645 2/20 0.42
PDE7A Q13946 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
TBXA2R P21731 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSPB1 P04792 2/20 0.40
TERT O14746 1/20 0.40

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
SCHEMBL16556058 1.00 EPAS1 (0.63) EPAS1MEN1MAPTKMT2AVEGFA
SCHEMBL1997338 0.83 TLR4 (0.46) EPAS1MEN1MAPTKMT2ACETP
SCHEMBL5089480 0.83 EPAS1 (0.47) EPAS1MEN1MAPTKMT2AVEGFA
SCHEMBL22069596 0.79 HSPB1 (0.56) EPAS1MEN1MAPTKMT2AALDH1A1
SCHEMBL14662124 0.78 SLC6A4 (0.54) EPAS1MEN1MAPTKMT2ARHEB
SCHEMBL14744331 0.78 MEN1 (0.61) EPAS1MEN1MAPTKMT2ARHEB
SCHEMBL16555467 0.78 EPAS1 (1.00) EPAS1MEN1MAPTKMT2AVEGFA
SCHEMBL30856914 0.78 EPAS1 (1.00) EPAS1MEN1MAPTKMT2AVEGFA
SCHEMBL28317228 0.76 ALDH1A1 (0.53) EPAS1MEN1MAPTKMT2AALDH1A1
SCHEMBL13306553 0.75 MEN1 (0.41) EPAS1MEN1MAPTKMT2ACETP

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-RE49948-E1 Aryl ethers and uses thereof PELOTON THERAPEUTICS, INC. (US) 2024-04-30 US disclosed