SCHEMBL8613623

SCHEMBL8613623

NC(=S)N(C(=O)c1ccccc1)c1cccc2c(N(C(=O)c3ccccc3)C(N)=S)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CTSL P07711 2/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADRA2C P18825 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL27706288 0.92 SIGMAR1 (0.40) GAACTSLCTSKALDH1A1L3MBTL1
SCHEMBL2762261 0.79 ALDH1A1 (0.50) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL8723486 0.75 KMT2A (0.53) ALDH1A1TSHRTDP1L3MBTL1POLB
SCHEMBL27534116 0.73 ALDH1A1 (0.44) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL27525904 0.73 ADRA2C (0.41) ALDH1A1TSHRTDP1L3MBTL1POLB
SCHEMBL6267389 0.72 TSHR (0.50) GAACTSLCTSKALDH1A1TSHR
SCHEMBL29234421 0.72 GAA (0.58) GAAALDH1A1L3MBTL1MAPT
SCHEMBL27706292 0.72 CES2 (0.46) ALDH1A1TSHRTDP1L3MBTL1POLB
SCHEMBL28005970 0.72 ALDH1A1 (0.39) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL8613353 0.72 CTSL (0.35) GAACTSLCTSKALDH1A1CYP3A4

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