SCHEMBL9622133

SCHEMBL9622133

CCCCCCCCCCCCCCCCCCSc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
XDH P47989 1/20 0.39
SLC2A1 P11166 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PTGES O14684 2/20 0.37
PLK1 P53350 4/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LIPE Q05469 1/20 0.35

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
SCHEMBL13578479 0.88 CA12 (0.38) XDHSLC2A1BCHEACHEATM
SCHEMBL9622156 0.82 LMNA (0.37) ATMKDM4ENPC1CYP1A2RAB9A
SCHEMBL15382000 0.78 RARB (0.52) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL17145189 0.77 HPGD (0.36) ATMNPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL990934 0.77 RAB9A (0.56) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL10529806 0.77 SLC2A1 (0.58) THRBTHRAXDHSLC2A1PTGES
SCHEMBL10533726 0.77 SLC2A1 (0.58) THRBTHRAXDHSLC2A1PTGES
SCHEMBL10528911 0.77 SLC2A1 (0.58) THRBTHRAXDHSLC2A1PTGES
SCHEMBL10527795 0.77 SLC2A1 (0.58) THRBTHRAXDHSLC2A1PTGES
SCHEMBL10528168 0.77 SLC2A1 (0.58) THRBTHRAXDHSLC2A1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0271195-B1 SUBSTITUTED TRIAZINE DERIVATIVES Horsell Plc (GB) 1992-04-22 EP claimed
US-4912218-A Substituted triazine derivatives COOKSON GROUP PLC (GB) 1990-03-27 US claimed
EP-0319296-A2 Photopolymerisable composition Horsell Plc (GB) 1989-06-07 EP claimed
EP-0271195-A1 Substituted triazine derivatives Horsell Plc (GB) 1988-06-15 EP claimed
EP-0271195-B1 SUBSTITUTED TRIAZINE DERIVATIVES Horsell Plc (GB) 1992-04-22 EP disclosed
EP-0389236-A2 Photopolymerisable composition Horsell Plc (GB) 1990-09-26 EP disclosed
US-4912218-A Substituted triazine derivatives COOKSON GROUP PLC (GB) 1990-03-27 US disclosed
EP-0319296-A2 Photopolymerisable composition Horsell Plc (GB) 1989-06-07 EP disclosed
EP-0271195-A1 Substituted triazine derivatives Horsell Plc (GB) 1988-06-15 EP disclosed