SCHEMBL30157771

SCHEMBL30157771

Cn1ncnc1NC(=O)CC1CCC(=O)N1Cc1ccc(Cl)nc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ P2RX7 Q99572 2/20 0.33

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
SCHEMBL30157619 0.89 KMT2A (0.39) HDAC1HDAC2KMT2ACYP3A4CYP2C9
SCHEMBL30157799 0.88 HDAC1 (0.38) HDAC1HDAC2KMT2ACYP3A4CYP2C9
SCHEMBL30157806 0.81 CYP3A4 (0.37) HDAC1HDAC2KMT2ACYP3A4CYP2C9
SCHEMBL30157508 0.80 LMNA (0.40) HDAC1HDAC2KMT2AMEN1ATM
SCHEMBL30157679 0.80 P2RX7 (0.39) HDAC1HDAC2KMT2AMEN1CYP2C9
SCHEMBL30158019 0.80 KMT2A (0.40) HDAC1HDAC2KMT2AMEN1ATM
SCHEMBL30157385 0.79 P2RX7 (0.46) HDAC1HDAC2KMT2AMEN1CYP2C9
SCHEMBL30158432 0.79 KMT2A (0.43) HDAC1HDAC2KMT2AMEN1ATM
SCHEMBL30158085 0.77 P2RX7 (0.48) HDAC1HDAC2KMT2AMEN1P2RX7
SCHEMBL30158714 0.77 KMT2A (0.56) HDAC1HDAC2KMT2AMEN1CYP3A4

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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