SCHEMBL7775035

SCHEMBL7775035

O=C(O)CCCCc1cscn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.42
F13A1 P00488 3/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.40
PPARA Q07869 1/20 0.40
SCD O00767 1/20 0.40
LMNA P02545 2/20 0.39
KDM4C Q9H3R0 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL16116690 0.98 TBXAS1 (0.45) TBXAS1F13A1MAPTRXFP1PPARA
SCHEMBL7186166 0.98 TBXAS1 (0.45) TBXAS1F13A1MAPTRXFP1PPARA
SCHEMBL5818912 0.95 SMN1; SMN2 (0.41) TBXAS1F13A1MAPTRXFP1KDM4E
SCHEMBL907879 0.87 KDM4E (0.44) KDM4ELMNAKDM4C
SCHEMBL7782045 0.80 HPGD (0.43) MAPTLMNAKDM4CTSHR
SCHEMBL19051554 0.80 SMN1; SMN2 (0.48) KDM4ELMNATSHR
SCHEMBL25754985 0.79 TBXAS1 (0.40) TBXAS1KDM4C
Oxalic Acid SCHEMBL27277082 0.77 KDM4E (0.39) MAPTKDM4ELMNAKDM4CTSHR
SCHEMBL2098331 0.73 SLC6A3 (0.33) LMNATSHR
SCHEMBL18531931 0.72 KCNH2 (0.47) TBXAS1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed