SCHEMBL9044774

SCHEMBL9044774

COC(=O)OC1(NC(=O)Cc2ccc(Cl)cc2Cl)CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
UGCG Q16739 1/20 0.43
RECQL P46063 1/20 0.42
P2RX7 Q99572 9/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39

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
SCHEMBL9045046 0.90 KMT2A (0.45) KMT2APOLBCYP3A4UGCGRECQL
SCHEMBL9046338 0.89 KMT2A (0.43) KMT2ARECQLP2RX7SIGMAR1MEN1
SCHEMBL9046646 0.88 SIGMAR1 (0.42) KMT2APOLBRECQLP2RX7SIGMAR1
SCHEMBL6766446 0.82 KMT2A (0.46) KMT2APOLBCYP3A4UGCGRECQL
SCHEMBL9045049 0.81 CYP3A4 (0.37) KMT2ACYP3A4P2RX7MEN1ALDH1A1
SCHEMBL9045799 0.81 ALDH1A1 (0.46) KMT2ARECQLP2RX7SIGMAR1ALDH1A1
SCHEMBL6771370 0.80 SHMT1 (0.50) KMT2APOLBCYP3A4UGCGP2RX7
SCHEMBL9045472 0.80 EPHX2 (0.44) KMT2ARECQLP2RX7SIGMAR1ALDH1A1
SCHEMBL6764649 0.78 KMT2A (0.46) KMT2APOLBCYP3A4UGCGP2RX7
SCHEMBL9213271 0.77 ALDH1A1 (0.57) KMT2APOLBMEN1ALDH1A1MAPT

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-0706527-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-04-17 EP disclosed
WO-1995001358-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-01-12 WO disclosed