SCHEMBL13472002

SCHEMBL13472002

Brc1ccc(OCCCCCI)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOS1 P29475 2/20 0.49
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 3/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
APP P05067 1/20 0.44
LSS P48449 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNA3 P22001 1/20 0.43
MAOB P27338 2/20 0.42
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL11563384 1.00 ATM (0.50) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL7898603 0.89 ATM (0.58) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL17465617 0.89 ATM (0.58) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL17445905 0.87 ATM (0.60) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL1471773 0.85 KDM4E (0.48) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL11615156 0.84 KCNA3 (0.52) L3MBTL1DRD3KDM4EALDH1A1KCNA3
SCHEMBL28180983 0.83 APP (0.63) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL18235025 0.82 DRD4 (0.57) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL6132362 0.81 ATM (0.51) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL6753836 0.81 ATM (0.51) ATML3MBTL1NOS1DRD4DRD2

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
US-20130002989-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
US-20130002989-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
US-8293380-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20080088228-A1 Polymer Compound and Polymer Light Emitting Device Using the Same DSUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-04-17 US disclosed