SCHEMBL4147112

SCHEMBL4147112

S=C(SCc1ccc(CSC(=S)n2c3ccccc3c3ccccc32)cc1)n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 2/20 0.40
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 3/20 0.36
NOS1 P29475 2/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL21619442 0.95 CA12 (0.49) CA12CA1CA2CA9POLB
SCHEMBL16900456 0.92 MAPT (0.46) POLBHTTLMNAMAPTHPGD
SCHEMBL14108355 0.73 POLB (0.50) POLBKDM4EHTTLMNAMAPT
SCHEMBL6721038 0.70 FABP4 (0.54) CA12CA1CA2CA9KDM4E
SCHEMBL14130475 0.69 FBP1 (0.48) CA12CA1CA2CA9IDO1
SCHEMBL21619443 0.69 KDM4E (0.44) POLBKDM4ELMNACYP19A1L3MBTL1
SCHEMBL19468284 0.67 TSHR (0.45) CA12CA1CA2CA9KMT2A
SCHEMBL19468360 0.67 MGLL (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL307496 0.67 CA12 (0.53) CA12CA1CA2CA9IDO1
SCHEMBL4160472 0.66 POLB (0.50) POLBKDM4EHTTLMNAMAPT

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
US-9079999-B2 Methods for preparing polymer coatings by electrochemical grafting of polymer brushes, compositions prepared thereby and compositions for preparing the coatings ADVINCULA RIGOBERTO (US) 2015-07-14 US disclosed
US-20090236229-A1 METHODS FOR PREPARING POLYMER COATINGS BY ELECTROCHEMICAL GRAFTING OF POLYMER BRUSHES, COMPOSITIONS PREPARED THEREBY AND COMPOSITIONS FOR PREPARING THE COATINGS THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-09-24 US disclosed
US-20090236229-A1 METHODS FOR PREPARING POLYMER COATINGS BY ELECTROCHEMICAL GRAFTING OF POLYMER BRUSHES, COMPOSITIONS PREPARED THEREBY AND COMPOSITIONS FOR PREPARING THE COATINGS THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-09-24 US disclosed