SCHEMBL20530403

SCHEMBL20530403

Cc1cc(C=C2SC(=S)NC2=O)ccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.71
MYC P01106 3/20 0.67
IL1RN P18510 1/20 0.67
ERAP1 Q9NZ08 1/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
MAX P61244 2/20 0.60
NAT1 P18440 8/20 0.59
CISD1 Q9NZ45 3/20 0.56
PDE4B Q07343 1/20 0.56
PDE3A Q14432 1/20 0.56
PIM1 P11309 2/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56

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
SCHEMBL20530402 1.00 PTP4A3 (0.71) PTP4A3MYCIL1RNERAP1MEN1
SCHEMBL8178911 0.83 PTP4A3 (1.00) PTP4A3MYCIL1RNERAP1MEN1
SCHEMBL8178908 0.83 PTP4A3 (1.00) PTP4A3MYCIL1RNERAP1MEN1
SCHEMBL17397853 0.83 MYC (0.77) PTP4A3MYCMEN1KMT2ANPC1
SCHEMBL17397854 0.83 MYC (0.77) PTP4A3MYCMEN1KMT2ANPC1
SCHEMBL17397855 0.83 MYC (0.77) PTP4A3MYCMEN1KMT2ANPC1
SCHEMBL24253263 0.81 NAT1 (0.68) MYCMEN1KMT2ANPC1ALDH1A1
SCHEMBL6962632 0.81 MYC (1.00) PTP4A3MYCIL1RNERAP1NPC1
SCHEMBL6962628 0.81 MYC (1.00) PTP4A3MYCIL1RNERAP1NPC1
SCHEMBL12961169 0.81 MYC (1.00) PTP4A3MYCIL1RNERAP1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3192870-B1 CULTIVATED HEPATOCYTE FOR BLOOD PURIFICATION HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2018-10-17 EP disclosed