SCHEMBL24640950

SCHEMBL24640950

O=c1[nH]ncc(NCCO)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 15/20 0.47
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.37
PARP1 P09874 2/20 0.37
PARP14 Q460N5 2/20 0.36
PARP12 Q9H0J9 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
PARP11 Q9NR21 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
TNKS O95271 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CYP2C9 P11712 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36

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
SCHEMBL24962311 0.80 TIPARP (0.40) TIPARPPKMPARP1PARP14PARP12
SCHEMBL30999335 0.78 CA12 (0.43) TIPARPPKMPARP1PARP14PARP12
SCHEMBL21522106 0.78 TIPARP (0.43) TIPARPLMNAPARP1PARP14PARP12
SCHEMBL10683559 0.76 PKM (0.41) TIPARPPKMLMNA
SCHEMBL21521728 0.76 TIPARP (0.43) TIPARPLMNAPARP1PARP14PARP12
SCHEMBL25010037 0.76 TIPARP (0.43) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL24640495 0.75 TIPARP (0.42) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL24640494 0.75 TIPARP (0.52) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL23336002 0.75 TIPARP (0.52) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL24640475 0.75 TIPARP (0.52) TIPARPPARP1PARP14PARP12TNKS2

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-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed