SCHEMBL8745149

SCHEMBL8745149

C=Cc1ccc(CSCCN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
PRMT6 Q96LA8 1/20 0.34
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
IDO1 P14902 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL6389194 0.88 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6392514 0.84 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL5066949 0.83 ALDH1A1 (0.55) ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11119737 0.81 CYP2C19 (0.48) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL14732603 0.81 ALDH1A1 (0.42) ALDH1A1CYP2C19TSHRHDAC8IDO1
SCHEMBL1026465 0.81 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL6393296 0.79 ALDH1A1 (0.41) ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL7258148 0.78 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7089052 0.78 ALDH1A1 (0.39) ALDH1A1CYP2D6CYP2C19CYP1A2TSHR
SCHEMBL8995212 0.78 ALDH1A1 (0.48) ALDH1A1CYP2D6CYP2C19CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466220-B1 Carboxy containing monomers and polymers and latices prepared from same JOHNSON & JOHNSON CLIN DIAG (US) 1997-01-29 EP disclosed
US-5278267-A Water insoluble vinyl aromatic polymer EASTMAN KODAK COMPANY (US) 1994-01-11 US disclosed
US-5210289-A Homo or coploymers for medical diagnosis EASTMAN KODAK COMPANY (US) 1993-05-11 US disclosed
US-5149737-A Carboxy group extended from polymer surface allows easier attachment of biological substances EASTMAN KODAK COMPANY (US) 1992-09-22 US disclosed
EP-0466220-A2 Carboxy containing monomers and polymers and latices prepared from same Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-01-15 EP disclosed