SCHEMBL24968233

SCHEMBL24968233

Nc1cc(C(F)(F)F)cnc1N1CCN(C(=O)OCCc2c[nH]c(=O)c(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 1/20 0.40
TIPARP Q7Z3E1 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RBP4 P02753 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MDM2 Q00987 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL24967960 0.90 MEN1 (0.49) KMT2AMEN1SMN1; SMN2HPGDTIPARP
SCHEMBL24968351 0.90 MEN1 (0.54) KMT2AMEN1SMN1; SMN2HPGDTIPARP
SCHEMBL27233858 0.88 MEN1 (0.46) KMT2AMEN1SMN1; SMN2HPGDTIPARP
SCHEMBL24968229 0.87 TIPARP (0.52) KMT2AMEN1SMN1; SMN2HPGDTIPARP
SCHEMBL24968396 0.84 CHRM4 (0.44) KMT2AMEN1SMN1; SMN2TIPARPALDH1A1
SCHEMBL24968471 0.84 SMN1; SMN2 (0.60) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL24967947 0.82 TIPARP (0.46) KMT2AMEN1SMN1; SMN2HPGDTIPARP
SCHEMBL24967941 0.80 TIPARP (0.43) KMT2AMEN1SMN1; SMN2HPGDTIPARP
SCHEMBL24967958 0.80 HPGD (0.42) KMT2AMEN1SMN1; SMN2HPGDTIPARP
SCHEMBL24967955 0.79 TIPARP (0.42) KMT2AMEN1SMN1; SMN2HPGDTIPARP

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-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed