SCHEMBL8183177

SCHEMBL8183177

CCOC(=O)C1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3c(C)csc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
CTSB P07858 1/20 0.41
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
IGF1R P08069 1/20 0.40
ALDH1A1 P00352 3/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL8171096 0.91 RHOA (0.43) MAPTTDP1KMT2AALDH1A1JAK2
SCHEMBL7013520 0.90 JAK2 (0.39) MAPTKMT2ARAB9AJAK2JAK3
SCHEMBL8180129 0.88 MAPT (0.45) MAPTTDP1TP53HTTCTSB
SCHEMBL8185660 0.87 MAPT (0.46) MAPTKMT2ARAB9AIGF1RALDH1A1
SCHEMBL7014536 0.87 JAK2 (0.40) MAPTKMT2AALDH1A1JAK2JAK3
SCHEMBL8179116 0.87 MAPT (0.44) MAPTTDP1TP53HTTCTSB
SCHEMBL8179525 0.86 PSMD14 (0.44) MAPTTDP1TP53HTTCTSB
SCHEMBL8181603 0.86 MAPT (0.46) MAPTTDP1TP53HTTCTSB
SCHEMBL8179070 0.85 MAPT (0.45) MAPTTDP1TP53HTTCTSB
SCHEMBL8184659 0.85 MAPT (0.45) MAPTTDP1TP53HTTCTSB

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed