SCHEMBL25310830

SCHEMBL25310830

CC(C)(C)OC(=O)N1C2CCC1CN(c1ncc(C(F)(F)F)cc1Cl)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 9/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 5/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL30510779 1.00 KMT2A (0.53) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL25308802 0.88 JAK1 (0.49) KMT2AMEN1
SCHEMBL30510806 0.88 JAK1 (0.49) KMT2AMEN1
SCHEMBL23064388 0.84 HDAC1 (0.46) MAPTCYP2C9CYP2C19GAA
SCHEMBL24962970 0.82 GPR119 (0.57)
SCHEMBL2366233 0.80 KMT2A (0.76) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL31142882 0.80 KMT2A (0.76) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL16771100 0.79 GPR119 (0.51) KMT2AMEN1SMN1; SMN2MAPTCYP2C9
SCHEMBL30165102 0.79 HDAC1 (0.57) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL25309474 0.79 HDAC1 (0.57) KMT2AMEN1SMN1; SMN2LMNAMAPT

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-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 WO disclosed