SCHEMBL439225

SCHEMBL439225

Cn1cccc1-c1cccc(-c2cccn2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 2/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2A13 Q16696 1/20 0.46
ALOX15 P16050 1/20 0.45
PCSK9 Q8NBP7 1/20 0.42
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL21022692 0.82 CYP2A6 (0.69) NPC1ALDH1A1CYP2A6CYP2A13HSD17B10
SCHEMBL197196 0.77 PCSK9 (0.60) KDM4ENPC1RECQLNPSR1ALDH1A1
SCHEMBL5163455 0.77 KDM4E (0.50) KDM4ENPC1RECQLNPSR1ALDH1A1
SCHEMBL16263093 0.77 NPC1 (0.53) KDM4ENPC1RECQLNPSR1ALDH1A1
SCHEMBL15002051 0.76 ALDH1A1 (0.44) KDM4ENPC1RECQLNPSR1ALDH1A1
SCHEMBL5329723 0.72 PKM (0.49) KDM4ENPC1ALDH1A1HSD17B10MAPT
SCHEMBL13484020 0.72 ENPP3 (0.44) KDM4ENPC1RECQLNPSR1ALDH1A1
SCHEMBL29094518 0.71 ALOX15 (0.41) KDM4ENPC1RECQLNPSR1ALDH1A1
SCHEMBL646282 0.71 ALOX15 (0.47) KDM4ENPC1RECQLNPSR1ALDH1A1
SCHEMBL25409767 0.70 ALOX15 (0.43) KDM4ENPC1RECQLNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756192-B1 PARTICULATE MATERIALS EXILICA LTD (GB) 2014-07-02 EP disclosed
EP-2562148-A2 Particulate polymer materials Exilica Limited (GB) 2013-02-27 EP disclosed
US-20120064348-A1 Particulate materials LYNCH DANIEL ERIC (GB) 2012-03-15 US disclosed
US-8084533-B2 addition-condensation copolymer of 1-methylpyrrol and squaraine, use as a support with hollow silica shells for an active agent Diclofenac Sodium salt; reservoirs or encapsulating agents; pyrolysis of a glass-coated polymer EXILICA LIMITED (GB) 2011-12-27 US disclosed
US-20080188611-A1 Particulate Materials COVENTRY UNIVERSITY (GB) 2008-08-07 US disclosed