SCHEMBL977916

SCHEMBL977916

CC(O)C(=O)N1CCc2cc(C(=O)CBr)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 4/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 10/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 2/20 0.44
PKM P14618 1/20 0.43
CYP11B1 P15538 2/20 0.42
ADRB2 P07550 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NOTUM Q6P988 3/20 0.42
CYP11B2 P19099 1/20 0.41
NPC1 O15118 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL869390 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL977917 0.81 ACHE (0.43) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL7486918 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL15058559 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL5780390 0.71 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL870500 0.71 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL4856578 0.71 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL7317599 0.70 CYP11B2 (0.44) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL5766977 0.70 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL5821038 0.70 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRECQLMAPT

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