SCHEMBL27459749

SCHEMBL27459749

O=[N+]([O-])c1c(C(F)(F)F)ccc2nc(F)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ EPAS1 Q99814 6/20 0.35
▸ ARNT P27540 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ VEGFA P15692 1/20 0.33
▸ ABCC8 Q09428 3/20 0.32
▸ KCNJ11 Q14654 3/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31

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
SCHEMBL27477654 0.70 ALDH1A1 (0.49) ALDH1A1POLBLMNAHPGDMAPT
SCHEMBL8856476 0.68 POLB (0.50) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL29222981 0.68 SIRT6 (0.42) MEN1KMT2AEPAS1ALDH1A1POLB
SCHEMBL1995800 0.65 TDP1 (0.46) EPAS1ALDH1A1VEGFAABCC8KCNJ11
SCHEMBL11742334 0.65 HASPIN (0.44) MEN1KMT2AEPAS1ALDH1A1ABCC8
SCHEMBL7450322 0.64 PDE7A (0.45) MEN1KMT2AEPAS1ALDH1A1POLB
SCHEMBL13542806 0.64 ALDH1A1 (0.49) EPAS1ARNTALDH1A1ABCC8KCNJ11
SCHEMBL102571 0.64 EPAS1 (0.42) MEN1KMT2AEPAS1ALDH1A1VEGFA
SCHEMBL15966898 0.64 TSHR (0.49) EPAS1ALDH1A1VEGFAABCC8KCNJ11
SCHEMBL5316312 0.64 EPAS1 (0.44) EPAS1ARNTALDH1A1VEGFAABCC8

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
CN-1158610-A Quinoxaline derivatives useful in therapy PFIZER LTD (IE) 1997-09-03 — — CN disclosed
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