SCHEMBL20645779

SCHEMBL20645779

COC1CCN(C(=O)c2ccc(C=O)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.48
PARP2 Q9UGN5 2/20 0.48
PRMT5 O14744 1/20 0.47
L3MBTL3 Q96JM7 2/20 0.47
KMT2A Q03164 1/20 0.45
VNN1 O95497 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL20645608 0.92 HPGD (0.50) PARP1PARP2PRMT5L3MBTL3KMT2A
SCHEMBL23884753 0.88 ALDH1A1 (0.49) L3MBTL3KMT2AALDH1A1GAAHPGD
SCHEMBL15473451 0.84 KMT2A (0.57) PARP1PARP2PRMT5L3MBTL3KMT2A
SCHEMBL12947988 0.84 KMT2A (0.57) PARP1PARP2PRMT5L3MBTL3KMT2A
SCHEMBL24073009 0.84 HSD11B1 (0.51) PARP1PARP2PRMT5L3MBTL3VNN1
SCHEMBL31003284 0.84 HSD11B1 (0.51) PARP1PARP2PRMT5L3MBTL3VNN1
SCHEMBL967429 0.83 L3MBTL3 (0.54) PARP1PARP2PRMT5L3MBTL3KMT2A
SCHEMBL967428 0.83 L3MBTL3 (0.54) PARP1PARP2PRMT5L3MBTL3KMT2A
SCHEMBL25772130 0.82 ACHE (0.59) PARP1PARP2PRMT5L3MBTL3KMT2A
SCHEMBL22622412 0.81 RECQL (0.55) L3MBTL3KMT2AALDH1A1GAAHPGD

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-2019011217-A1 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF AND USE THEREOF 中国科学院上海药物研究所 2019-01-17 WO disclosed