SCHEMBL7470977

SCHEMBL7470977

O=C(O)Cc1cccc2nc3ccccc3c(C(O)=S)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
AKR1B1 P15121 1/20 0.41
GLA P06280 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 2/20 0.38
CXCL8 P10145 3/20 0.38
AKR1B10 O60218 1/20 0.38
UGT1A9 O60656 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
UGT1A6 P19224 1/20 0.38

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
SCHEMBL3402945 0.86 TDP1 (0.51) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9424812 0.74 PARP1 (0.46) TDP1MEN1KMT2ALMNAPOLB
SCHEMBL5705498 0.74 KDM4E (0.50) TDP1KDM4EKMT2AALDH1A1LMNA
SCHEMBL9330379 0.71 PDE10A (0.44) KDM4EMEN1KMT2ALMNAPOLB
SCHEMBL9727747 0.71 TDP1 (0.64) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3406646 0.71 DYRK1A (0.45) TDP1KDM4EALDH1A1POLBSMN1; SMN2
Naphthalene SCHEMBL27472463 0.70 KDM4E (0.46) TDP1KDM4EKMT2AALDH1A1LMNA
SCHEMBL2291662 0.70 ALDH1A1 (0.56) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL27498191 0.70 TDP1 (0.73) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL27550242 0.70 PDE10A (0.55) TDP1KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647628-B1 Acridinium derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2002-09-11 EP disclosed
EP-0257541-B1 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AG (DE) 1996-01-03 EP disclosed
EP-0647628-A1 Acridmium derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP disclosed
EP-0257541-A2 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 EP disclosed