SCHEMBL6307102

SCHEMBL6307102

CCNC(=S)SCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
IDO1 P14902 7/20 0.51
GAA P10253 3/20 0.50
ALPL P05186 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
PKM P14618 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
KMT2A Q03164 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46

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
SCHEMBL6323640 0.86 IDO1 (0.53) CA12CA1CA2CA9IDO1
SCHEMBL26963101 0.83 IDO1 (0.65) CA12CA1CA2CA9IDO1
SCHEMBL6319495 0.83 IDO1 (0.51) CA12CA1CA2CA9IDO1
SCHEMBL28961038 0.81 IDO1 (0.62) CA12CA1CA2CA9IDO1
Ammonia Solution, Strong SCHEMBL23878421 0.81 IDO1 (0.62) CA12CA1CA2CA9IDO1
SCHEMBL23878482 0.81 IDO1 (0.62) CA12CA1CA2CA9IDO1
SCHEMBL23878395 0.81 IDO1 (0.62) CA12CA1CA2CA9IDO1
SCHEMBL21198807 0.81 IDO1 (0.62) CA12CA1CA2CA9IDO1
SCHEMBL20601197 0.81 IDO1 (0.62) CA12CA1CA2CA9IDO1
SCHEMBL28413709 0.81 IDO1 (0.62) CA12CA1CA2CA9IDO1

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
US-6858568-B2 Metal lubricants containing a bridge complex MEC INTERNATIONAL CORPORATION (JP) 2005-02-22 US claimed
US-20020123435-A1 Metal lubricants containing a bridge complex MEC INTERNATIONAL CORPORATION 2002-09-05 US claimed
EP-0633918-A1 ULTRAVIOLET RADIATION CURABLE ACRYLATE PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-18 EP disclosed
WO-1993020164-A1 ULTRAVIOLET RADIATION CURABLE ACRYLATE PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-14 WO disclosed