SCHEMBL3401243

SCHEMBL3401243

CCC(CC)(c1cc[c]cc1)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL3141815 0.94 NPC1 (0.34) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL3397798 0.91 NPC1 (0.32) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL15334635 0.90 CES2 (0.35) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL13380590 0.87 NPC1 (0.31) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL3399787 0.85
SCHEMBL3145451 0.84 NPC1 (0.36) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL13380593 0.83
SCHEMBL3397605 0.81
SCHEMBL15334631 0.80 CES2 (0.34) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL11973248 0.80 SMN1; SMN2 (0.36) NPC1LMNAMAPK1CASP3RAB9A

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
EP-2137140-B1 NOVEL DIAZONAPHTHOQUINONESULFONIC ACID BISPHENOL DERIVATIVE USEFUL IN PHOTO LITHOGRAPHIC SUB MICRON PATTERNING AND A PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-11-10 EP claimed