SCHEMBL11638611

SCHEMBL11638611

O=C1Nc2cccc3ccc(Sc4ccccc4)c1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ KMT2A Q03164 5/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ TYMS P04818 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ BCL2 P10415 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ PDE7B Q9NP56 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PIM1 P11309 1/20 0.32

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
SCHEMBL17045730 0.84 PARP1 (0.53) MAPTKDM4EMAPK1NSD2KMT2A
SCHEMBL11637894 0.80 MAPT (0.46) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL11633105 0.79 ADORA2A (0.41) MAPTKDM4EMAPK1NSD2KMT2A
SCHEMBL17045726 0.75 PARP1 (0.42) MAPTKDM4EMAPK1NSD2KMT2A
SCHEMBL11060440 0.73 BCL2 (0.50) MAPTKDM4EMAPK1NSD2KMT2A
SCHEMBL24317500 0.71 CDK2 (0.44) MAPTKDM4EKMT2APARP1MEN1
SCHEMBL7936537 0.71 RAD52 (0.44) MAPTKDM4EKMT2AMAOAADORA2A
SCHEMBL11318564 0.71 KMT2A (0.45) MAPTKMT2APARP1MEN1GAA
SCHEMBL11809624 0.71 BCL2 (0.50) MAPTKDM4EMAPK1NSD2KMT2A
SCHEMBL52296 0.70 KDM4E (0.62) MAPTKDM4EMAPK1NSD2KMT2A

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-4096145-A DYES FOR RESINS AND POLYESTER TEXTILES BASF AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
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