SCHEMBL8053584

SCHEMBL8053584

CCCN(c1ccncc1)c1csc2cc(O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.35
BRAF P15056 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYR P14679 1/20 0.32
TNIK Q9UKE5 1/20 0.31
QPCT Q16769 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
CSNK1D P48730 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
LMNA P02545 1/20 0.30

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
Hydrochloric Acid SCHEMBL8052007 0.99 SLC6A2 (0.34) SLC6A2BRAFALDH1A1MAPTHSD17B10
SCHEMBL8056707 0.86 SLC6A2 (0.41) SLC6A2MAPTLMNA
SCHEMBL7337994 0.86 SLC6A2 (0.34) SLC6A2BRAFALDH1A1MAPTCSNK1D
Hydrochloric Acid SCHEMBL8038855 0.85 SLC6A2 (0.40) SLC6A2MAPTLMNA
Hydrochloric Acid SCHEMBL7335002 0.85 SLC6A2 (0.33) SLC6A2BRAFMAPK14
SCHEMBL8049558 0.84 SLC6A2 (0.43) SLC6A2BRAFALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL8051427 0.83 SLC6A2 (0.42) SLC6A2BRAFALDH1A1MAPTHSD17B10
SCHEMBL8049772 0.83 POLQ (0.36) SLC6A2
SCHEMBL8436369 0.83 SLC6A2 (0.37) SLC6A2BRAF
SCHEMBL4352573 0.83 SLC6A2 (0.46) SLC6A2ALDH1A1MAPTCSNK1DMAPK11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022880-A Substituted pyridylamino indoles HOECHST MARION ROUSSEL, INC. (US) 2000-02-08 US disclosed
US-5328920-A Alleviating memory dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-07-12 US disclosed