SCHEMBL931550

SCHEMBL931550

O=CCN1CCc2cc(CCCl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
RECQL P46063 3/20 0.37
BLM P54132 3/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
MAPK1 P28482 1/20 0.37
APOBEC3A P31941 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 6/20 0.34
EPHX2 P34913 5/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL932044 0.86 S1PR1 (0.39) S1PR1MEN1KMT2AKDM4EMAPT
SCHEMBL931075 0.79 SIGMAR1 (0.48) S1PR1
SCHEMBL9901142 0.76 HDAC1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16370572 0.76 ATAD2 (0.44) S1PR1MEN1KMT2AKDM4EMAPT
SCHEMBL14473305 0.74 ALDH1A1 (0.50) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL14473300 0.74 ALDH1A1 (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL466270 0.72 ALDH1A1 (0.63) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL1867023 0.71 MAPT (0.45) KMT2AMAPTMAPK1TDP1ALDH1A1
SCHEMBL3782121 0.71 NOTUM (0.62) KDM4EMAPTRECQLALDH1A1LMNA
SCHEMBL2594028 0.71 CA1 (0.50) MEN1KMT2AKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448934-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 AstraZeneca AB (SE) 2012-05-09 EP disclosed
WO-2011002405-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2011-01-06 WO disclosed