SCHEMBL14537595

SCHEMBL14537595

CCc1cnc2c(Sc3ccccc3)c(Sc3ccccc3)c(Sc3ccccc3)cc2c1Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ DHFR P00374 1/20 0.34
▸ TYMS P04818 1/20 0.34
▸ TUBB4A P04350 2/20 0.33
▸ TUBB P07437 2/20 0.33
▸ TUBA3C P0DPH7 2/20 0.33
▸ TUBA1B P68363 2/20 0.33
▸ TUBA4A P68366 2/20 0.33
▸ TUBB4B P68371 2/20 0.33
▸ TUBB3 Q13509 2/20 0.33
▸ TUBB2A Q13885 2/20 0.33
▸ TUBB8 Q3ZCM7 2/20 0.33
▸ TUBA3E Q6PEY2 2/20 0.33
▸ TUBA1A Q71U36 2/20 0.33
▸ TUBA1C Q9BQE3 2/20 0.33
▸ TUBB6 Q9BUF5 2/20 0.33
▸ TUBB2B Q9BVA1 2/20 0.33
▸ TUBB1 Q9H4B7 2/20 0.33
▸ PNP P00491 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL14537585 0.86 TOP2A (0.37) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14537594 0.85 MAPT (0.45) MAPTDHFRTYMSTUBB4ATUBB
SCHEMBL14537593 0.83 MAPT (0.46) MAPTDHFRTYMSICAM1SELE
SCHEMBL14537589 0.80 MAPT (0.46) MAPTDHFRTYMSTUBB4ATUBB
SCHEMBL14537592 0.80 MAPT (0.43) MAPTDHFRTYMSTUBB4ATUBB
SCHEMBL14537573 0.78 MAPT (0.66) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14537587 0.77 MAPT (0.46) MAPTDHFRTYMSTUBB4ATUBB
SCHEMBL14537591 0.76 MAPT (0.42) MAPTDHFRTYMS
SCHEMBL14537590 0.75 MAPT (0.43) MAPTDHFRTYMS
SCHEMBL14537586 0.73 CYP3A4 (0.50) MAPTPTGDR2POLB

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-8349867-B2 Quinoline compounds, intermediates, preparation methods and uses thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-01-08 — — US disclosed
Send feedback