SCHEMBL9547640

SCHEMBL9547640

O=C(Nc1cccs1)Nc1cccs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 16/20 0.72
HTT P42858 6/20 0.72
RAB9A P51151 5/20 0.72
LMNA P02545 3/20 0.72
MAPT P10636 11/20 0.70
MEN1 O00255 10/20 0.70
KMT2A Q03164 10/20 0.70
HSD17B10 Q99714 9/20 0.70
ALOX15 P16050 7/20 0.70
TP53 P04637 6/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 3/20 0.70
GFER P55789 3/20 0.70
ALDH1A1 P00352 4/20 0.68
HPGD P15428 3/20 0.68
KDM4E B2RXH2 3/20 0.68
CASP3 P42574 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68

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
SCHEMBL11968855 0.88 GAA (0.73) GAAHTTRAB9ALMNAMAPT
SCHEMBL20323608 0.87 GAA (0.66) GAAHTTRAB9ALMNAMAPT
SCHEMBL28723721 0.86 GAA (0.58) GAAHTTRAB9ALMNAMAPT
SCHEMBL6505186 0.84 GAA (0.57) GAAHTTRAB9ALMNAMAPT
Benzene SCHEMBL29129490 0.84 GAA (0.58) GAAHTTRAB9ALMNAMAPT
SCHEMBL27177336 0.84
SCHEMBL418428 0.84
SCHEMBL11968803 0.84 GAA (0.71) GAAHTTRAB9ALMNAMAPT
SCHEMBL13762121 0.82 GAA (0.60) GAAHTTRAB9ALMNAMAPT
SCHEMBL11969326 0.82 GAA (1.00) GAAHTTRAB9ALMNAMAPT

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed