SCHEMBL30158085

SCHEMBL30158085

Cn1ncnc1NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 15/20 0.48
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MET P08581 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL30157287 1.00 P2RX7 (0.48) P2RX7MEN1KMT2AMETRIPK1
SCHEMBL30157740 1.00 P2RX7 (0.48) P2RX7MEN1KMT2AMETRIPK1
SCHEMBL30157679 0.87 P2RX7 (0.39) P2RX7MEN1KMT2AHDAC1HDAC2
SCHEMBL30157385 0.86 P2RX7 (0.46) P2RX7MEN1KMT2AHDAC1HDAC2
SCHEMBL30157457 0.85 P2RX7 (0.48) P2RX7
SCHEMBL30157750 0.81 P2RX7 (0.57) P2RX7
SCHEMBL30157806 0.81 CYP3A4 (0.37) P2RX7KMT2AHDAC1HDAC2
SCHEMBL27246029 0.81 P2RX7 (0.46) P2RX7MEN1KMT2AHDAC1HDAC2
SCHEMBL30157695 0.81 P2RX7 (0.52) P2RX7MEN1KMT2AHDAC1HDAC2
SCHEMBL30157619 0.80 KMT2A (0.39) P2RX7KMT2AHDAC1HDAC2

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
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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