SCHEMBL9622140

SCHEMBL9622140

COc1ccc(Sc2ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
PTGIR P43119 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CLK4 Q9HAZ1 1/20 0.41
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 2/20 0.40
CHEK2 O96017 1/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL36116 0.91 CLK4 (0.48) MAPTMEN1KMT2AALDH1A1CLK4
SCHEMBL22129825 0.91 CLK4 (0.48) MAPTMEN1KMT2AALDH1A1CLK4
SCHEMBL10068859 0.89 CLK4 (0.47) MAPTMEN1KMT2AALDH1A1CLK4
Ethylene SCHEMBL22497430 0.87 CLK4 (0.46) MAPTMEN1KMT2AALDH1A1CLK4
SCHEMBL326391 0.87 CLK4 (0.48) MAPTMEN1KMT2AALDH1A1CLK4
SCHEMBL5692393 0.84 SMN1; SMN2 (0.55) MAPTMEN1KMT2ACLK4NPC1
SCHEMBL7114873 0.84 S1PR1 (0.53) MAPTMEN1KMT2AALDH1A1CLK4
SCHEMBL18344284 0.83 KDM4E (0.44) MAPTKMT2AALDH1A1CLK4NPC1
SCHEMBL3195574 0.82 CYP1A2 (0.47) MAPTALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL274985 0.82 APP (0.45) MAPTALDH1A1CLK4NPC1SMN1; SMN2

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
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
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