SCHEMBL7369653

SCHEMBL7369653

COc1ccc(OCNC(=O)c2cccc3nc[nH]c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 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
SCHEMBL7363585 0.85 BRD4 (0.47) BRD4NPC1RAB9AKMT2AKDM4E
SCHEMBL4440945 0.77 HPGD (0.63) NPC1KMT2AKDM4EHPGDALDH1A1
SCHEMBL536590 0.75 KDM4E (0.46) BRD4KMT2AKDM4ETDP1HPGD
SCHEMBL1477696 0.75 P2RX7 (0.45) BRD4KMT2AKDM4ETDP1LMNA
Potassium SCHEMBL29729324 0.74 KDM4E (0.45) BRD4KMT2AKDM4ETDP1HPGD
SCHEMBL5823499 0.71 MAPT (0.44) BRD4KMT2AKDM4ELMNASMN1; SMN2
Acetic Acid SCHEMBL27464432 0.71 KDM4E (0.43) BRD4KMT2AKDM4ETDP1HPGD
SCHEMBL1382500 0.71 TSHR (0.56) BRD4NPC1RAB9AKMT2AKDM4E
SCHEMBL2646903 0.70 PARP1 (0.41) BRD4NPC1RAB9AKMT2AKDM4E
SCHEMBL4081935 0.69 CLEC4M (0.57) NPC1RAB9AKMT2AKDM4EHPGD

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-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP claimed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO claimed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed