SCHEMBL7757071

SCHEMBL7757071

FC(F)(F)c1ccc(OC(=S)c2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ACP1 P24666 3/20 0.41
TNKS O95271 1/20 0.41
WNT3A P56704 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.39
APP P05067 2/20 0.39
RAB9A P51151 2/20 0.38
KIF11 P52732 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7756511 0.85 KDM4E (0.48) ABCG2RAB9ASMN1; SMN2HPGDMAOB
SCHEMBL7030411 0.84 SCN9A (0.43) ACP1SMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL6931307 0.81 MAPT (0.43) RAB9ASMN1; SMN2HPGDL3MBTL1MAOB
SCHEMBL7027183 0.81 POLB (0.51) TNKSTNKS2RAB9ASMN1; SMN2HPGD
SCHEMBL28022528 0.79 ESR1 (0.39) ESR1ACP1TNKSWNT3ATNKS2
SCHEMBL7755739 0.78 ACHE (0.38) KIF11SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7755153 0.77 CA12 (0.37) RAB9AMEN1KMT2AGAAMAPT
SCHEMBL7027469 0.75 ELANE (0.39) RAB9ASMN1; SMN2HPGDMAOBALDH1A1
SCHEMBL7756508 0.74 KMT2A (0.46) ACP1ABCG2RAB9ASMN1; SMN2HPGD
SCHEMBL23731489 0.73 ALDH1A1 (0.45) RAB9AKIF11SMN1; SMN2MAOBALDH1A1

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-0755457-B1 Novel Aryl-N-Alkylacridanthiocarboxylate derivatives useful for chemiluminescent detection LUMIGEN INC (US) 2001-02-21 EP disclosed
US-5523212-A OXIDATION WITH PEROXIDE AND PEROXIDASE TO EXCITED ACRIDONE DERIVATIVE; DETECTING PROTEINS, HAPTENS, ANTIBODIES, ENZYMES LUMIGEN, INC. (US) 1996-06-04 US disclosed