SCHEMBL7755159

SCHEMBL7755159

COc1ccc2c(c1)N(C)c1ccccc1C2C(=S)Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 4/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
NFE2L2 Q16236 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
AKR1C3 P42330 1/20 0.33

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
SCHEMBL7022484 0.90 HDAC4 (0.43) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL7025463 0.86 HDAC4 (0.44) HDAC4HDAC7HDAC5RECQLKDM4E
SCHEMBL8332615 0.86 HDAC4 (0.36) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL7755161 0.81 HDAC4 (0.42) HDAC4HDAC7HDAC5RECQLALDH1A1
SCHEMBL8686343 0.81 MAPK1 (0.35) HDAC4HDAC7HDAC5KMT2AALDH1A1
SCHEMBL5161928 0.79 HDAC4 (0.47) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL7755709 0.79 HDAC4 (0.44) HDAC4HDAC7HDAC5MEN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL7030203 0.78 HDAC4 (0.39) TP53HDAC4HDAC7HDAC5MEN1
SCHEMBL7024113 0.78 IDO1 (0.36) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL5705454 0.77 HDAC4 (0.43) HDAC4HDAC7HDAC5MEN1KMT2A

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 10 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 claimed
EP-0755457-A4 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 1997-07-16 EP claimed
EP-0755457-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1997-01-29 EP claimed
US-5523212-A OXIDATION WITH PEROXIDE AND PEROXIDASE TO EXCITED ACRIDONE DERIVATIVE; DETECTING PROTEINS, HAPTENS, ANTIBODIES, ENZYMES LUMIGEN, INC. (US) 1996-06-04 US claimed
WO-1995028495-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-10-26 WO claimed
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