SCHEMBL8354249

SCHEMBL8354249

CCOc1ccc2nc(NC(=O)CN3CCN(c4cccc(CC)c4)CC3)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ USP2 O75604 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ ALDH1A1 P00352 3/20 0.58
▸ CSNK1D P48730 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ LRRK2 Q5S007 1/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ PSMD14 O00487 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55

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
SCHEMBL8353968 0.92 ALDH1A1 (0.69) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL8354375 0.88 SMN1; SMN2 (0.68) SMN1; SMN2USP2LMNATSHRALDH1A1
Hydrochloric Acid SCHEMBL8353865 0.87 SMN1; SMN2 (0.67) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL8356375 0.85 ALDH1A1 (0.75) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL8533002 0.84 SMN1; SMN2 (0.70) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL8353601 0.82 ALDH1A1 (0.70) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL8350662 0.82 ALDH1A1 (0.70) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL8354234 0.81 ALDH1A1 (0.76) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL8350081 0.81 ALDH1A1 (0.69) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL8353473 0.79 ALDH1A1 (0.72) SMN1; SMN2USP2LMNATSHRALDH1A1

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