SCHEMBL31284325

SCHEMBL31284325

O=[N+]([O-])c1ccc(C(F)(F)F)c(-n2ncc(F)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.38
▸ ABCC8 Q09428 1/20 0.38
▸ KCNJ11 Q14654 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ SLC6A9 P48067 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TLR2 O60603 1/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL31284495 0.87 PTGS1 (0.40) PTGS1ABCC8KCNJ11ALDH1A1MAPK1
SCHEMBL31284605 0.82 ABCC8 (0.41) ABCC8KCNJ11ALDH1A1MAPK1PDE7A
SCHEMBL31284048 0.76 TSHR (0.40) ALDH1A1MAPK1KMT2AMEN1POLB
SCHEMBL31285605 0.74 KEAP1 (0.41) PTGS1ABCC8KCNJ11ALDH1A1MAPK1
SCHEMBL25259776 0.71 PDE7A (0.44) ABCC8KCNJ11ALDH1A1PDE7AKMT2A
SCHEMBL26215269 0.70 HSD17B10 (0.43) PTGS1ALDH1A1MAPK1SLC6A9KMT2A
SCHEMBL30619304 0.70 ALDH1A1 (0.53) ALDH1A1PDE7ASLC6A9KMT2AMEN1
SCHEMBL1010657 0.70 ALDH1A1 (0.53) ALDH1A1PDE7ASLC6A9KMT2AMEN1
SCHEMBL1999857 0.69 PDE7A (0.54) ALDH1A1MAPK1PDE7AKMT2AMEN1
SCHEMBL31284625 0.68 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPT

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
EP-4743085-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics, Inc. (US) 2026-05-20 — — EP disclosed
WO-2025019357-A2 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-01-23 — — WO disclosed
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