SCHEMBL25310697

SCHEMBL25310697

CC(CCC(=O)O)c1n[nH]c(=O)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
CYP1A2 P05177 1/20 0.47
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PARP1 P09874 1/20 0.42
AR P10275 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRMT5 O14744 1/20 0.41

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
SCHEMBL25310041 0.83 TSHR (0.67) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL19902371 0.79 TSHR (0.54) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL13721278 0.78 POLB (1.00) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL26123997 0.76 POLB (0.42) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL29480990 0.75 POLB (0.68) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL1786764 0.75 POLB (0.68) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL9530036 0.74 POLB (0.67) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL13265509 0.73 POLB (0.65) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL13720699 0.72 TSHR (1.00) POLBTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL17354960 0.72 TSHR (0.56) POLBTSHRLMNASMN1; SMN2CYP1A2

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