SCHEMBL8181963

SCHEMBL8181963

CCOC(=O)C1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KCNH2 Q12809 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL8181603 0.91 MAPT (0.46) METMAPTKMT2ACTSBTDP1
SCHEMBL8184659 0.91 MAPT (0.45) METMAPTKMT2ACTSBTDP1
SCHEMBL8179070 0.91 MAPT (0.45) METMAPTKMT2ACTSBTDP1
SCHEMBL8178194 0.90 PDE4A (0.43) METTSHRKMT2ATDP1KCNH2
SCHEMBL7018675 0.90 MET (0.43) METTSHRKMT2AKCNH2EPHX2
SCHEMBL8185534 0.90 MAPT (0.45) METMAPTKMT2ACTSBTDP1
SCHEMBL8178702 0.89 CTNNB1 (0.45) MAPTTSHRKMT2AEPHX2
SCHEMBL7013401 0.87 MET (0.40) METKCNH2
SCHEMBL8169893 0.85 ALDH1A1 (0.47) TSHRKMT2ATP53
SCHEMBL8170085 0.85 CTNNB1 (0.48) TDP1

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