SCHEMBL6952050

SCHEMBL6952050

[CH2]Cc1nnnn1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.54
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL3728791 0.82 KDM4C (0.55) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL13872406 0.82 KDM4C (0.55) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL20223332 0.81 KDM4C (0.54) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL10363667 0.81 KDM4C (0.54) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL9602462 0.79 KDM4C (0.53) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL9602466 0.79 KDM4C (0.53) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL4135826 0.79 KDM4C (0.53) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL18839648 0.79 KDM4E (0.41) KDM4CALDH1A1MAPK1TRPV1LMNA
SCHEMBL18839933 0.78 KDM4C (0.51) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL11535261 0.78 KDM4C (0.51) KDM4CALDH1A1HPGDMAPK1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP claimed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US claimed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP claimed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO claimed
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO disclosed