SCHEMBL9306654

SCHEMBL9306654

CCCOc1cc(C)c(C)c2[nH]c(I)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.34
PDE5A O76074 3/20 0.33
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
XDH P47989 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MCHR1 Q99705 1/20 0.32
TP53 P04637 1/20 0.32
PPARG P37231 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
HIF1A Q16665 1/20 0.31

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
SCHEMBL9306648 0.89 SMN1; SMN2 (0.34) SMN1; SMN2LMNAHTTMAPTTSHR
SCHEMBL9304646 0.83 ALDH1A1 (0.35) SMN1; SMN2LMNAHTTMAPTTSHR
SCHEMBL9304640 0.71 ALDH1A1 (0.35) SMN1; SMN2LMNAHTTMAPTTSHR
SCHEMBL13475555 0.70 HTT (0.51) SMN1; SMN2LMNAHTTMAPTTSHR
SCHEMBL9306412 0.69 MAPT (0.37) SMN1; SMN2LMNAHTTMAPTTSHR
SCHEMBL9799959 0.69 MAPK1 (0.34) SMN1; SMN2LMNAHTTMAPTTSHR
SCHEMBL19122394 0.66 HTT (0.49) SMN1; SMN2LMNAHTTMAPTTSHR
SCHEMBL29712144 0.64 HTT (0.46) SMN1; SMN2LMNAHTTMAPTTSHR
SCHEMBL9304064 0.63 HPSE (0.36) LMNAPDE5AMAPK1TLR8HIF1A
SCHEMBL9305425 0.63 MAPT (0.37) SMN1; SMN2LMNAHTTMAPTTSHR

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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed