SCHEMBL11673045

SCHEMBL11673045

CCC(I)C(=O)Nc1c(C)cccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
HSP90AA1 P07900 1/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 3/20 0.49
SCN3A Q9NY46 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
MC4R P32245 1/20 0.49
SCN4A P35499 1/20 0.49
MC3R P41968 1/20 0.49
HTR3A P46098 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL28739212 0.82 TSHR (0.53) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL14275079 0.81 ATM (0.54) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL11427887 0.80 ATM (0.57) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL7221331 0.79 KMT2A (0.50) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL10993026 0.79 ATM (0.56) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL7853958 0.79 ATM (0.49) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL30498336 0.78 ATM (0.48) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL23317156 0.77 ATM (0.47) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL10391944 0.77 MAPT (0.50) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL22746450 0.77 ANPEP (0.50) ATMHSP90AA1LMNAMAPTSCN3A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4029794-A SAXITOXIN ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1977-06-14 US disclosed
US-4029793-A TETRODOXIN OR DESOXYTETRODOXIN ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1977-06-14 US disclosed
US-4022899-A TETRODOXIN, DESOXYTETRODOXIN, AMINOALKYL BENZOATE ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1977-05-10 US disclosed
US-4001413-A PHARMACEUTICAL LOCAL ANESTHETIC COMPOSITION EMPLOYING SAXITOXIN ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1977-01-04 US disclosed
US-3966934-A AMINOACYL ANILIDE AND A TOXIN ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1976-06-29 US disclosed
US-3957996-A AMINOACYL ANILIDE, SAXITOXIN, ADMINISTERING ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1976-05-18 US disclosed