SCHEMBL8030645

SCHEMBL8030645

O=C(c1ccccc1)c1cccc([I+]c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 2/20 0.56
PBRM1 Q86U86 1/20 0.55
SRD5A2 P31213 1/20 0.48
MAPT P10636 2/20 0.47
PTGS1 P23219 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
PTGS2 P35354 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
PMP22 Q01453 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL30516329 0.81 CA12 (0.56) HPGDHSD17B10
SCHEMBL4000513 0.81 CA12 (0.56) HPGDHSD17B10
SCHEMBL135162 0.80 ATM (1.00) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL9324919 0.80 ATM (1.00) ATMTDP1L3MBTL1ALDH1A1PBRM1
Bromide SCHEMBL10852716 0.79 CA12 (0.54) HPGDHSD17B10
SCHEMBL134024 0.78 ATM (0.95) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL134300 0.78 ATM (0.95) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL795457 0.78 TSHR (0.60) L3MBTL1ALDH1A1MAPTKDM4EHPGD
Benzil SCHEMBL29379612 0.76 CES2 (0.70) ATMTDP1L3MBTL1ALDH1A1MAPT
Isophthalic Acid SCHEMBL107876 0.76 CA2 (0.56) ATMTDP1L3MBTL1ALDH1A1PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985165-A1 IONIC HALOMETHYL-1,3,5-TRIAZINE PHOTOINITIATORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-15 EP disclosed
US-5847133-A Ionic halomethyl-1,3,5-triazine photoinitiators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-08 US disclosed
WO-1998053369-A1 IONIC HALOMETHYL-1,3,5-TRIAZINE PHOTOINITIATORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-26 WO disclosed