SCHEMBL8614489

SCHEMBL8614489

S=C(NCc1ccccc1)Nc1cccc2c(NC(=S)NCc3ccccc3)cccc12

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.71
KDM4E B2RXH2 2/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ALOX12 P18054 4/20 0.67
GAA P10253 4/20 0.67
POLB P06746 2/20 0.67
THRB P10828 1/20 0.67
MAOA P21397 1/20 0.66
MAOB P27338 1/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
LMNA P02545 2/20 0.62
PKM P14618 1/20 0.62

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
SCHEMBL20537061 0.92 KDM4E (0.72) HPGDKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL4341984 0.81 GAA (0.65) HPGDKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL4341540 0.81 MEN1 (0.62) HPGDKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL1275902 0.80 ALOX12 (1.00) HPGDSMN1; SMN2ALOX12GAAPOLB
SCHEMBL12846489 0.80 ALOX12 (0.75) HPGDKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL11717881 0.80 KDM4E (0.74) KDM4EHTTSMN1; SMN2GAAPOLB
SCHEMBL1520659 0.79 MAOB (1.00) HPGDSMN1; SMN2ALOX12GAAPOLB
SCHEMBL8612547 0.79 MAOB (0.92) HPGDSMN1; SMN2ALOX12GAAPOLB
SCHEMBL8617127 0.79 HPGD (0.77) HPGDKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL20027144 0.79 RAB9A (0.80) HPGDKDM4EHTTSMN1; SMN2ALOX12

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 4 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 claimed
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