SCHEMBL25310041

SCHEMBL25310041

CCOC(=O)CCC(C)c1n[nH]c(=O)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 2/20 0.54
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
PARP1 P09874 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
SCHEMBL25310697 0.83 POLB (0.63) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL13720699 0.81 TSHR (1.00) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL26120490 0.79 TSHR (0.47) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL25310305 0.77 ALDH1A1 (0.76) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL19902371 0.77 TSHR (0.54) TSHRALDH1A1SMN1; SMN2POLBNPSR1
SCHEMBL9202473 0.75 TSHR (0.70) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL25309821 0.74 SMN1; SMN2 (0.70) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL5010738 0.74 SMN1; SMN2 (1.00) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL29069352 0.71 ALDH1A1 (0.52) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL13720557 0.71 POLB (1.00) TSHRALDH1A1SMN1; SMN2POLBKDM4E

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