SCHEMBL8994512

SCHEMBL8994512

O=C(O)c1nccnc1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
SRD5A2 P31213 1/20 0.50
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
BLM P54132 1/20 0.48
AGER Q15109 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AKR1C3 P42330 1/20 0.47
ATM Q13315 2/20 0.46
NAPRT Q6XQN6 2/20 0.46
DAO P14920 1/20 0.46
DHODH Q02127 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK13 O15264 1/20 0.44

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
SCHEMBL7854787 0.82 LTA4H (0.53) ALDH1A1KMT2ASRD5A2KDM4EL3MBTL1
SCHEMBL8994407 0.81 POLB (0.55) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL30504303 0.80 ATR (0.57) ALDH1A1KMT2AMEN1SRD5A2L3MBTL1
SCHEMBL3712041 0.80 KMT2A (0.48) ALDH1A1KMT2AMEN1SRD5A2L3MBTL1
SCHEMBL5682288 0.80 ATR (0.57) ALDH1A1KMT2AMEN1SRD5A2L3MBTL1
SCHEMBL69939 0.79 KDM4E (0.54) ALDH1A1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL7347947 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL296670 0.79 KDM4E (0.69) ALDH1A1KMT2AMEN1SRD5A2KDM4E
SCHEMBL11239278 0.78 CNR2 (0.58) ALDH1A1KMT2AMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL7853761 0.77 KDM4E (0.67) ALDH1A1KMT2AMEN1KDM4EL3MBTL1

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
US-5512564-A VIRICIDES, AIDS BOEHRINGER MANNHEIM GMBH (DE) 1996-04-30 US disclosed
EP-0602097-B1 TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1996-04-24 EP disclosed
EP-0602097-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION. BOEHRINGER MANNHEIM GMBH (DE) 1994-06-22 EP disclosed
WO-1993005047-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1993-03-18 WO disclosed