SCHEMBL11822497

SCHEMBL11822497

CCOc1nc(N2CCSCC2)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ BLM P54132 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
SCHEMBL11823884 0.83 MAPT (0.42) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11824715 0.81 MAPT (0.41) MAPTKMT2ASMN1; SMN2KDM4EKCNQ3
SCHEMBL11823112 0.81 MAPT (0.41) MAPTKMT2ASMN1; SMN2KDM4EKCNQ3
SCHEMBL11826962 0.76 MAPT (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL11825633 0.74 MGMT (0.36) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11818955 0.72 MAPT (0.46) MAPTKMT2ASMN1; SMN2KDM4EKCNQ3
SCHEMBL11826064 0.71 MAPT (0.54) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11828426 0.70 MAPT (0.53) MAPTKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL11826745 0.70 L3MBTL1 (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL11825201 0.69 KCNQ3 (0.39) MAPTKMT2ASMN1; SMN2KDM4EKCNQ3

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-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 — — US disclosed
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