SCHEMBL8614488

SCHEMBL8614488

Cc1ccc(NC(=S)Nc2ccc(Oc3ccc(NC(=S)Nc4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HTT P42858 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 3/20 0.64
CYP2C19 P33261 3/20 0.63
CYP3A4 P08684 2/20 0.63
CYP1A2 P05177 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALOX12 P18054 4/20 0.57
HPGD P15428 3/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
LMNA P02545 1/20 0.55
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL14181848 0.93 KMT2A (0.71) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL1276739 0.87 KMT2A (0.79) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL16639672 0.86 CYP1A2 (0.73) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL5406834 0.85 ALDH1A1 (0.51) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL20536981 0.85 ALDH1A1 (0.81) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL7028772 0.82 KMT2A (0.77) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL6578291 0.80 ALDH1A1 (0.80) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL5451731 0.79 ALDH1A1 (0.74) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL1310574 0.79 GAA (0.78) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL5612841 0.78 TDP1 (0.77) ALDH1A1HTTKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611754-B1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same JUJO PAPER CO LTD (JP) 1998-04-22 EP disclosed
US-5723075-A HEAT RESISTANT ABSORBERS WITH RESINS FOR SHIELDS NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-03-03 US disclosed
EP-0611754-A1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1994-08-24 EP disclosed