SCHEMBL9511289

SCHEMBL9511289

[O-][Cl+3]([O-])([O-])Oc1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.61
RAB9A P51151 10/20 0.61
HTT P42858 4/20 0.61
NTSR1 P30989 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
UHRF1 Q96T88 1/20 0.61
NR2F2 P24468 1/20 0.54
RAD52 P43351 1/20 0.54
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
NPY1R P25929 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RCE1 Q9Y256 1/20 0.50
CA2 P00918 3/20 0.49
CRHBP P24387 1/20 0.49

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
SCHEMBL158977 0.79 NPC1 (0.66) NPC1RAB9AHTTNTSR1KDM4E
Perchlorate SCHEMBL9508583 0.78 RAB9A (0.70) NPC1RAB9AHTTNTSR1KDM4E
Perchlorate SCHEMBL11536227 0.77 NPC1 (1.00) NPC1RAB9AHTTNTSR1KDM4E
SCHEMBL14356289 0.76 NPC1 (0.61) NPC1RAB9AHTTNTSR1KDM4E
SCHEMBL9512235 0.76 RAB9A (0.61) NPC1RAB9AHTTNTSR1KDM4E
Hydrochloric Acid SCHEMBL23198666 0.74 NPC1 (0.64) NPC1RAB9AHTTNTSR1KDM4E
SCHEMBL23198663 0.73 CA2 (0.49) NPC1RAB9AHTTNTSR1KDM4E
SCHEMBL11533950 0.72 NPC1 (0.84) NPC1RAB9AHTTNTSR1KDM4E
SCHEMBL805082 0.72 NPC1 (0.77) NPC1RAB9AHTTNTSR1KDM4E
SCHEMBL23198667 0.72 RAB9A (0.56) NPC1RAB9AHTTNTSR1KDM4E

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-0226543-B1 PROCESS FOR THE PREPARATION OF GLYCIDYL COMPOUNDS CIBA-GEIGY AG (CH) 1993-09-29 EP claimed
US-4722983-A REACTING A PHENOLIC COMPOUND WITH A HALOHYDRIN IN APROTIC SOLVENT CIBA-GEIGY CORPORATION (US) 1988-02-02 US claimed
US-4722983-A REACTING A PHENOLIC COMPOUND WITH A HALOHYDRIN IN APROTIC SOLVENT CIBA-GEIGY CORPORATION (US) 1988-02-02 US disclosed
US-4722983-A REACTING A PHENOLIC COMPOUND WITH A HALOHYDRIN IN APROTIC SOLVENT CIBA-GEIGY CORPORATION (US) 1988-02-02 US disclosed