SCHEMBL7902250

SCHEMBL7902250

CCc1cc2c(c3c(N)cccc13)Nc1ccc(N(CC)CC)cc1S2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.34
RET P07949 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GRK6 P43250 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP1 P09874 1/20 0.30
SLC2A1 P11166 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
SCHEMBL15926398 0.78 NOX1 (0.36) S100BRETMEN1NPC1ALDH1A1
SCHEMBL2434682 0.76 S100B (0.36) S100BRETMEN1NPC1ALDH1A1
SCHEMBL972682 0.73 SNCA (0.46) S100BRETMEN1NPC1ALDH1A1
SCHEMBL2429634 0.71 S100B (0.41) S100BRETMEN1NPC1ALDH1A1
SCHEMBL29565964 0.70 IDO1 (0.33) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL29912733 0.70 IDO1 (0.33) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL1133892 0.70 IDO1 (0.33) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL2430499 0.70 S100B (0.38) S100BRETMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL20994607 0.70 GAA (0.33) MEN1NPC1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL498746 0.70 GAA (0.33) MEN1NPC1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977592-A4 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION OF MOLECULAR AGENTS PHOTOGEN INC (US) 2001-01-10 EP claimed
EP-0977592-A1 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION OF MOLECULAR AGENTS Photogen, Inc. (US) 2000-02-09 EP claimed
US-5998597-A THE TREATMENT OF A PARTICULAR VOLUME OF PLANT OR ANIMAL TISSUE COMPRISING THE STEPS OF TREATING THE PLANT OR ANIMAL TISSUE WITH AT LEAST ONE PHOTO-ACTIVE MOLECULAR AGENT. PHOTOGEN, INC. (US) 1999-12-07 US claimed
WO-1998018399-A1 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION OF MOLECULAR AGENTS PHOTOGEN, INC. (US) 1998-05-07 WO claimed