SCHEMBL6893802

SCHEMBL6893802

O=C(O)CCn1c(=S)oc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
APEX1 P27695 1/20 0.61
POLB P06746 2/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 1/20 0.60
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
GFER P55789 1/20 0.57
FABP3 P05413 1/20 0.54
FABP4 P15090 1/20 0.54
FABP5 Q01469 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN11 Q06124 1/20 0.54

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
SCHEMBL11192533 0.84 MAPT (0.53) MAPTALDH1A1MEN1KMT2AAPEX1
Benzene SCHEMBL7861838 0.83 MAPK1 (0.75) MAPTALDH1A1MEN1KMT2AAPEX1
SCHEMBL2008321 0.83 MAPK1 (0.75) MAPTALDH1A1MEN1KMT2AAPEX1
SCHEMBL11556953 0.77 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4273818 0.76 APEX1 (1.00) MAPTALDH1A1KMT2AAPEX1HTT
SCHEMBL11196544 0.76 HPGD (0.69) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL19499958 0.74 NPSR1 (0.52) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL17156221 0.73 MIF (0.68) MAPTALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL2149849 0.73 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL6743259 0.73 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348296-B2 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA HEALTHCARE (BE) 2008-03-25 US disclosed
US-7348296-B2 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA HEALTHCARE (BE) 2008-03-25 US disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
US-4343880-A Dye-forming electrically activatable recording material and process EASTMAN KODAK COMPANY (US) 1982-08-10 US disclosed
US-4201582-A MERCAPTO HETEROCYCLIC TONER, SILVER HALIDE, SILVER SALT OF CARBOXYALKYL HETEROCYCLIC THIONE, ORGANIC REDUCING AGNET EASTMAN KODAK COMPANY (US) 1980-05-06 US disclosed
US-4186009-A SILVER HALIDE, SILVER SALT OXIDIZING AGENT, ORGANIC REDUCING AGENT, HYDRAZINO THIOUREA NUCLEATING AGENT EASTMAN KODAK COMPANY (US) 1980-01-29 US disclosed
US-4168169-A SUBSTITUTED THIAZOLINE, OXAZOLINE, OR IMIDAZOLINE SILVER HALIDE COMPLEXING AGENT EASTMAN KODAK COMPANY (US) 1979-09-18 US disclosed
US-4168170-A NONCATALYTIC PHOTOTHERMOGRAPHY EASTMAN KODAK COMPANY (US) 1979-09-18 US disclosed
US-4105451-A 2-MERCAPTO-BENZOTHIAZOLE, -BENZOXAZOLE, -BENZIMIDAZOLE OR -BENZOSELENAZOLE; HETEROCYCLIC THIONE SILVER SALT; REDUCING AGENT; BINDER; SILVER HALIDE AND SENSITIZER EASTMAN KODAK COMPANY (US) 1978-08-08 US disclosed
US-4022617-A DIFFUSION EASTMAN KODAK COMPANY (US) 1977-05-10 US disclosed