SCHEMBL8615334

SCHEMBL8615334

Cc1cc(Cc2ccc(NC(=S)NC(=O)c3ccccc3)c(C)c2)ccc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.68
ALDH1A1 P00352 7/20 0.64
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.64
ALOX12 P18054 1/20 0.64
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LTC4S Q16873 1/20 0.56
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL13129153 0.86 LTC4S (0.68) ALDH1A1MAPTMEN1KMT2ALTC4S
SCHEMBL8612483 0.84 EPHX1 (0.77) EPHX1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL18550651 0.84 EPHX1 (0.72) EPHX1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL11511293 0.83 EPHX1 (0.70) EPHX1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL11513179 0.83 EPHX1 (0.71) EPHX1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL5713527 0.82 EPHX1 (1.00) EPHX1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL11168086 0.81 EPHX1 (0.67) EPHX1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL8296349 0.78 EPHX1 (0.68) EPHX1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL8611590 0.77 ALDH1A1 (0.84) EPHX1ALDH1A1MAPTSMN1; SMN2ALOX12
SCHEMBL8613354 0.77 EPHX1 (0.67) EPHX1ALDH1A1MAPTSMN1; SMN2GAA

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