SCHEMBL30954331

SCHEMBL30954331

CCN(CC)C(=O)n1ccc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
P2RX4 Q99571 3/20 0.50
POLB P06746 2/20 0.46
BCHE P06276 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 2/20 0.46
TSPO P30536 1/20 0.44
PTBP1 P26599 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX7 Q99572 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 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
SCHEMBL2692515 1.00 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1P2RX4
SCHEMBL14229159 0.82 NOTUM (0.50) NOTUMTSHRRAB9AL3MBTL1P2RX4
SCHEMBL3834965 0.81 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1BCHE
SCHEMBL29428949 0.81 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1BCHE
SCHEMBL14200317 0.79 NOTUM (0.47) NOTUMTSHRRAB9AL3MBTL1P2RX4
SCHEMBL30452280 0.77 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL2997057 0.77 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL14200313 0.77 NOTUM (0.44) NOTUMTSHRRAB9AL3MBTL1BCHE
SCHEMBL24109952 0.77 NOTUM (0.64) NOTUMTSHRRAB9AL3MBTL1POLB
SCHEMBL5510446 0.76 TUBB1 (0.54) TSHRL3MBTL1POLBLMNASMN1; SMN2

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
CN-117897376-A Heterocyclic compounds and process for preparing same 光明智慧生物科学公司 2024-04-16 CN disclosed