SCHEMBL7523709

SCHEMBL7523709

CN(C)CCCCNc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)C=C3

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.38
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
SLC2A1 P11166 1/20 0.34
APOBEC3A P31941 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ACHE P22303 5/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TERT O14746 1/20 0.32
KDM1A O60341 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32

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
SCHEMBL7523714 0.81 HTT (0.32) NPC1KMT2AKDM4E
SCHEMBL8138655 0.73 CACNA1B (0.35) DRD3NPC1POLBRAD52RAB9A
SCHEMBL5264237 0.73 CYP1A2 (0.41) NPC1POLBRAB9AKMT2AKDM4E
SCHEMBL7263829 0.71 SIRT2 (0.38) NPC1KMT2AKDM4E
SCHEMBL7119512 0.71 KDM1A (0.39) SLC2A1KMT2AKDM1A
SCHEMBL361847 0.70 KDM4E (0.50) NPC1KMT2AKDM4EL3MBTL1
SCHEMBL8127106 0.69 TOP2A (0.33) TOP2ADRD3NPC1POLBSLC2A1
SCHEMBL8137464 0.69 RAD52 (0.36) NPC1POLBRAD52RAB9AKMT2A
SCHEMBL7971753 0.69 HTT (0.36) NPC1KMT2AKDM4E
SCHEMBL7528809 0.69 RAD52 (0.39) TOP2ANPC1POLBSLC2A1APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037885-B1 NOVEL WATER SOLUBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2002-03-27 EP claimed
EP-1037885-B1 NOVEL WATER SOLUBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2002-03-27 EP disclosed