SCHEMBL6686975

SCHEMBL6686975

Cc1nn(-c2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c(C)c1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TSHR P16473 5/20 0.64
LMNA P02545 4/20 0.64
NPSR1 Q6W5P4 4/20 0.64
POLB P06746 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX15 P16050 1/20 0.64
XBP1 P17861 1/20 0.64
MAPK1 P28482 1/20 0.64
MAPT P10636 5/20 0.57
HTT P42858 2/20 0.57
HIF1A Q16665 1/20 0.57
TP53 P04637 2/20 0.45
PTBP1 P26599 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CREBBP Q92793 1/20 0.45
CNR1 P21554 3/20 0.45
CNR2 P34972 2/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL6689688 0.92 ALDH1A1 (0.76) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6688778 0.90 ALDH1A1 (0.62) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6690858 0.90 ALDH1A1 (0.54) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6688827 0.89 TSHR (0.61) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6694842 0.89 LMNA (0.72) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6691514 0.84 ALDH1A1 (0.71) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6689207 0.83 ALDH1A1 (0.69) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6691578 0.82 ALDH1A1 (0.68) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6716432 0.82 ALDH1A1 (0.67) ALDH1A1TSHRLMNANPSR1POLB
SCHEMBL6692622 0.82 ALDH1A1 (0.67) ALDH1A1TSHRLMNANPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO claimed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO disclosed