SCHEMBL11296201

SCHEMBL11296201

Cn1nc(Cc2ccc(Cl)cc2)nc1CCl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
ADCY10 Q96PN6 1/20 0.40
TP53 P04637 5/20 0.40
POLB P06746 4/20 0.40
HSP90AB1 P08238 1/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CETP P11597 1/20 0.36
TDP2 O95551 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL11295802 0.85 TDP2 (0.49) HTR6ADCY10L3MBTL1ALDH1A1TDP2
SCHEMBL14415474 0.70 TDP2 (0.50) HTR6TP53L3MBTL1ALDH1A1TDP2
SCHEMBL3471911 0.69 TDP2 (0.77) TP53POLBMAPTL3MBTL1MAPK1
SCHEMBL8345336 0.67 NR1H2 (0.38) HTR6ADCY10TP53POLBMAPT
SCHEMBL10284909 0.67 HSP90AB1 (0.44) ADCY10TP53POLBHSP90AB1MAPT
SCHEMBL6963345 0.66 NR1H2 (0.35) HTR6ADCY10
SCHEMBL1970510 0.65 L3MBTL1 (0.46) HTR6HSP90AB1MAPTL3MBTL1MAPK1
SCHEMBL7635398 0.65 ALDH1A1 (0.39) HTR6ADCY10TP53POLBMAPT
SCHEMBL8992968 0.64 IDO1 (0.48) HSP90AB1MAPTALDH1A1
SCHEMBL9670480 0.63 MAPT (0.58) MAPTL3MBTL1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065217-A2 5-Haloalkyl-1,2,4-triazole and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-24 EP disclosed