SCHEMBL9853225

SCHEMBL9853225

CCC(O)(O)Nc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 17/20 0.41
KMT2A Q03164 15/20 0.41
MEN1 O00255 14/20 0.41
MAPT P10636 10/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HSD17B10 Q99714 9/20 0.41
ALOX15 P16050 8/20 0.41
TP53 P04637 6/20 0.41
HTT P42858 6/20 0.41
USP2 O75604 2/20 0.41
POLB P06746 1/20 0.41
GFER P55789 2/20 0.40
PKM P14618 4/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL28991967 0.78 GAA (0.38) GAAKMT2AMEN1MAPTRAB9A
SCHEMBL11274257 0.73 GAA (0.40) GAAKMT2AMEN1MAPTRAB9A
SCHEMBL244451 0.69
SCHEMBL7204796 0.69 CLCN2 (0.38) GAAKMT2AMAPTHTTALDH1A1
SCHEMBL27672844 0.68
Hydrochloric Acid SCHEMBL22712590 0.67
Iodide SCHEMBL22712589 0.67
Bromide SCHEMBL22712592 0.67
SCHEMBL9399546 0.67 GAA (0.41) GAAKMT2AMAPTHSD17B10HPGD
Propanol SCHEMBL27976426 0.67 GAA (0.41) GAAKMT2AMEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413293-A2 1-(Benzo[b]thienyl)-2-(thienyl) ethenes and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-02-20 EP disclosed
US-4904674-A FREE OF AGGLOMERATION OF FIBRILLATION HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-02-27 US disclosed