SCHEMBL24329595

SCHEMBL24329595

CC(C)c1ccc2nc3n(c2c1)CCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 7/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
BCHE P06276 1/20 0.40
CFTR P13569 1/20 0.40
ALOX15 P16050 1/20 0.40
ACHE P22303 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
GOPC Q9HD26 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL25001244 0.82 TP53 (0.60) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL19252750 0.80 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL3029049 0.80 SMN1; SMN2 (0.64) SMN1; SMN2TP53ALDH1A1KDM4EHSD17B10
SCHEMBL21320757 0.76 ALDH1A1 (0.46) SMN1; SMN2TP53ALDH1A1KDM4EHSD17B10
SCHEMBL14006090 0.76 ALDH1A1 (0.46) SMN1; SMN2TP53ALDH1A1KDM4EHSD17B10
SCHEMBL3031783 0.76 ATM (0.51) SMN1; SMN2TP53ALDH1A1KDM4EHSD17B10
SCHEMBL24330982 0.75 SMN1; SMN2 (0.63) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL28080097 0.74 SMN1; SMN2 (0.50) SMN1; SMN2TP53ALDH1A1KDM4EHSD17B10
SCHEMBL26482560 0.74 TP53 (0.51) SMN1; SMN2TP53ALDH1A1KDM4EHSD17B10
SCHEMBL24329884 0.72 MEN1 (0.51) SMN1; SMN2TP53ALDH1A1KDM4EHSD17B10

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-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed