SCHEMBL7756508

SCHEMBL7756508

COc1ccc2c(C(=S)Oc3ccc(F)cc3)c3ccccc3nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
NQO2 P16083 1/20 0.46
RAB9A P51151 1/20 0.46
KDM1A O60341 3/20 0.44
ACP1 P24666 2/20 0.43
DYRK3 O43781 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7030411 0.88 SCN9A (0.43) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7027183 0.86 POLB (0.51) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8741772 0.85 TP53 (0.47) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8330737 0.82 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8686158 0.81 MAPT (0.40) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7756511 0.78 KDM4E (0.48) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7020881 0.77 MAPT (0.51) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8741771 0.76 DYRK3 (0.48) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6584881 0.76 KDM4E (0.56) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7028491 0.76 DHODH (0.48) KMT2AMEN1

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 5 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
EP-0755457-A4 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 1997-07-16 EP disclosed
EP-0755457-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1997-01-29 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
WO-1995028495-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-10-26 WO disclosed