SCHEMBL8611486

SCHEMBL8611486

CCN(C(N)=S)c1ccc(Cc2ccc(N(CC)C(N)=S)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.37
SLC22A2 O15244 1/20 0.35
HPGD P15428 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8611160 0.82 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1TDP1CYP3A4
SCHEMBL145553 0.80 ALDH1A1 (0.59) ALDH1A1TSHRL3MBTL1SMN1; SMN2MEN1
SCHEMBL3893897 0.80 ENPP2 (0.44) ALDH1A1TSHRL3MBTL1SMN1; SMN2GLA
SCHEMBL3895848 0.79 ENPP2 (0.43) ALDH1A1TSHRL3MBTL1SMN1; SMN2GLA
SCHEMBL11374000 0.78 HTR3E (0.43) ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL8611431 0.77 ADRA2A (0.36) ALDH1A1TSHRMAPK1TDP1CYP3A4
SCHEMBL8616953 0.77 SLC22A2 (0.47) ALDH1A1SMN1; SMN2GLASLC22A2
SCHEMBL11037938 0.74 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1TDP1CYP3A4
SCHEMBL8615624 0.74 SLC22A2 (0.45) ALDH1A1CYP3A4KDM4ESLC22A2
SCHEMBL3972855 0.73 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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