SCHEMBL9622211

SCHEMBL9622211

ClC(Cl)(Cl)c1nc(-c2ccc(Sc3ccccc3)cc2)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.42
LMNA P02545 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 8/20 0.39
HTT P42858 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
XBP1 P17861 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTRC Q99895 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 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
SCHEMBL13270539 0.85 ABCG2 (0.40) ABCG2LMNATDP1MAPTHTT
SCHEMBL125466 0.83 MEN1 (0.44) LMNAMAPTHTTCYP1A2CYP2C9
SCHEMBL80527 0.83 MEN1 (0.47) LMNAMAPTHTTCYP1A2CYP2C9
SCHEMBL4900598 0.83 MEN1 (0.47) LMNAMAPTHTTCYP1A2CYP2C9
SCHEMBL8412982 0.81 NPC1 (0.38) MAPTHTTALDH1A1HPGDCYP3A4
SCHEMBL9622140 0.81 MAPT (0.46) TDP1MAPTHTTNPSR1CYP1A2
SCHEMBL146203 0.79 ADORA3 (0.41) LMNAHTTNPSR1CYP1A2CYP2C19
SCHEMBL81224 0.78 CXCL12 (0.43) ABCG2LMNAMAPTHTTNPSR1
SCHEMBL25985511 0.77 L3MBTL1 (0.54) ABCG2LMNATDP1MAPTHTT
SCHEMBL7518324 0.77 MEN1 (0.41) LMNAMAPTHTTCYP1A2CYP2C9

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 7 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-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-0271195-A1 Substituted triazine derivatives Horsell Plc (GB) 1988-06-15 EP disclosed