SCHEMBL8354375

SCHEMBL8354375

CCOc1ccc2nc(NC(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
LMNA P02545 3/20 0.68
USP2 O75604 1/20 0.68
TSHR P16473 1/20 0.68
MAPT P10636 4/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 4/20 0.56
POLB P06746 3/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
HSD17B10 Q99714 1/20 0.54
LRRK2 Q5S007 1/20 0.53
PSMD14 O00487 1/20 0.53
MAPK1 P28482 1/20 0.53

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
Hydrochloric Acid SCHEMBL8353865 0.99 SMN1; SMN2 (0.67) SMN1; SMN2LMNAUSP2TSHRMAPT
SCHEMBL8353854 0.92 ALDH1A1 (0.66) LMNAMAPTKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL8356274 0.91 ALDH1A1 (0.68) LMNAMAPTKDM4EALDH1A1POLB
SCHEMBL8354249 0.88 SMN1; SMN2 (0.71) SMN1; SMN2LMNAUSP2TSHRMAPT
SCHEMBL11261037 0.86 MAPT (0.64) SMN1; SMN2LMNATSHRMAPTKDM4E
SCHEMBL8354793 0.83 ALDH1A1 (0.68) SMN1; SMN2LMNAUSP2TSHRKDM4E
SCHEMBL8356375 0.83 ALDH1A1 (0.75) SMN1; SMN2LMNAUSP2TSHRMAPT
SCHEMBL8357279 0.82 ALDH1A1 (0.69) SMN1; SMN2LMNAUSP2TSHRKDM4E
SCHEMBL8533002 0.82 SMN1; SMN2 (0.70) SMN1; SMN2LMNAUSP2TSHRMAPT
SCHEMBL8353968 0.80 ALDH1A1 (0.69) SMN1; SMN2LMNAUSP2TSHRMAPT

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
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO claimed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed