SCHEMBL8616503

SCHEMBL8616503

O=C(NC(=S)Nc1ccc(Nc2ccc(NC(=S)NC(=O)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.83
ALDH1A1 P00352 7/20 0.77
RAB9A P51151 3/20 0.77
NPSR1 Q6W5P4 3/20 0.77
NPC1 O15118 2/20 0.77
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
POLB P06746 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
PLK1 P53350 1/20 0.68
CA9 Q16790 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
PKM P14618 1/20 0.68
CRHBP P24387 1/20 0.68
CRHR2 Q13324 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MIF P14174 1/20 0.66
CYP2C9 P11712 1/20 0.65
ALOX12 P18054 1/20 0.65

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
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.91 EPHX1 (1.00) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL31321777 0.88 ALDH1A1 (0.85) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL27451748 0.88 MIF (0.83) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL12012124 0.87 EPHX1 (1.00) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL5457898 0.87 ALDH1A1 (0.81) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL24799815 0.87 EPHX1 (0.78) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL14096440 0.87 EPHX1 (0.78) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL14127097 0.87 EPHX1 (0.78) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL2346064 0.85 EPHX1 (0.66) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL16358847 0.85 EPHX1 (0.76) EPHX1ALDH1A1RAB9ANPSR1NPC1

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