SCHEMBL3399835

SCHEMBL3399835

c1ccc(-[n+]2c3ccccc3cc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.52
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 4/20 0.39
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
UHRF1 Q96T88 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GLA P06280 2/20 0.35
HPGD P15428 2/20 0.35
NLRP3 Q96P20 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 3/20 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
Hydrochloric Acid SCHEMBL3913860 1.00 ATM (0.52) ATMRAB9AMEN1KMT2ANPC1
Perchlorate SCHEMBL3905342 0.91 ATM (0.50) ATMRAB9AMEN1KMT2ANPC1
SCHEMBL30938105 0.91 ATM (0.45) ATMRAB9AMEN1KMT2ANPC1
Bromide SCHEMBL3913192 0.89 ATM (0.43) ATMRAB9AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL14871697 0.73 MAPT (0.46) RAB9AMEN1KMT2ANPC1HTT
SCHEMBL1264191 0.73 MAPT (0.46) RAB9AMEN1KMT2ANPC1HTT
SCHEMBL16469849 0.73 MAPT (0.39) ATMRAB9AMEN1KMT2ANPC1
SCHEMBL16470346 0.73 ACHE (0.33) ATMRAB9AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL7854486 0.73 ACHE (0.33) ATMRAB9AMEN1KMT2ANPC1
SCHEMBL28933474 0.73 ACHE (0.33) ATMRAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116111-A1 SUBSTITUTED ACRIDINE-LIKE AND XANTHENIUM-LIKE FLUORESCENT DYES Københavns Universitet (DK) 2016-07-28 WO disclosed
EP-2245013-A1 9-Ý4-(AMINO) PHENYL¨ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2010-11-03 EP disclosed
US-20090173693-A1 LYOTROPIC LIQUID CRYSTAL MEMBRANES BASED ON CROSS-LINKED TYPE I BICONTINUOUS CUBIC PHASES NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2009-07-09 US disclosed
US-20070020479-A1 Luminescent-polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-25 US disclosed
EP-0330433-B1 Protected chemiluminescent labels GEN PROBE INC (US) 1996-04-17 EP disclosed
US-4950613-A DETECTORS GEN-PROBE INCORPORATED (US) 1990-08-21 US disclosed
WO-1989008256-A1 PROTECTED CHEMILUMINESCENT LABELS GEN-PROBE INCORPORATED (US) 1989-09-08 WO disclosed
EP-0330433-A2 Protected chemiluminescent labels GEN-PROBE INCORPORATED (US) 1989-08-30 EP disclosed