SCHEMBL5698521

SCHEMBL5698521

Cc1cc(O)c(C(C)(C)C)c(-n2nnc3ccc(Cl)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.36
▸ KCNMA1 Q12791 3/20 0.36
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ PDE2A O00408 2/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ CYP11B2 P19099 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CUL4A Q13619 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5031381 0.83 SMN1; SMN2 (0.41) KMOKCNMA1NPC1RAB9APDE2A
SCHEMBL9853757 0.81 KMO (0.37) KMOKCNMA1NPC1RAB9APDE2A
SCHEMBL29376925 0.78 KMO (0.36) KMOKCNMA1PDE2APDE10ACUL4A
SCHEMBL3857163 0.73 SMN1; SMN2 (0.41) KCNMA1NPC1RAB9ASMN1; SMN2KDM4E
Bumetrizole SCHEMBL1792777 0.71 KCNMA1 (0.48) KCNMA1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3177701 0.67 KCNMA1 (0.40) KCNMA1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL502853 0.65 KCNMA1 (0.67) KCNMA1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL6067857 0.65 CHEK1 (0.39) KCNMA1NPC1RAB9APDE2APDE10A
Bumetrizole SCHEMBL8359542 0.65 NPC1 (0.48) KCNMA1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11545910 0.64 NPC1 (0.53) KMONPC1RAB9ASMN1; SMN2KDM4E

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
EP-1599543-B1 UV-STABILISED POLYAMIDE COMPOSITION DSM IP ASSETS BV (NL) 2006-08-09 — — EP disclosed
Send feedback