SCHEMBL8672735

SCHEMBL8672735

CSn1c(-c2nccc(OCCSc3ccccn3)c2C)nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ THRB P10828 1/20 0.37
▸ PDPK1 O15530 4/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ AR P10275 6/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ATM Q13315 1/20 0.33

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
SCHEMBL8672723 0.83 MEN1 (0.38) MAPTPDPK1KMT2APOLBMEN1
SCHEMBL8671190 0.83 AR (0.56) MAPTKMT2APOLBARMEN1
SCHEMBL8669468 0.83 CYP1A2 (0.44) MAPTKMT2APOLBMEN1LMNA
SCHEMBL8443200 0.82 KMT2A (0.42) MAPTKMT2APOLBARMEN1
SCHEMBL8669339 0.82 MEN1 (0.39) KMT2APOLBMEN1LMNASMN1; SMN2
SCHEMBL8550349 0.81 KDM4E (0.42) MAPTTHRBKMT2APOLBMEN1
SCHEMBL8668968 0.79 SMN1; SMN2 (0.39) MAPTGRM2KMT2APOLBAR
SCHEMBL5134227 0.78 MAPT (0.51) MAPTKMT2ALMNA
SCHEMBL8551897 0.78 LMNA (0.35) MAPTTHRBKMT2APOLBMEN1
SCHEMBL8443201 0.78 TDP1 (0.44) SMN1; SMN2

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-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 — — US disclosed
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