SCHEMBL4619422

SCHEMBL4619422

CCOC(=O)c1cccc2nc(OCC)n(NCc3ccc(Br)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
AGTR2 P50052 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE3B Q13370 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DHODH Q02127 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL4620376 0.93 KMT2A (0.40) AGTR2SMN1; SMN2LMNAMAPTMEN1
SCHEMBL3176403 0.77 AGTR2 (0.52) AGTR2MEN1KMT2APDE3AKDM4E
SCHEMBL21125120 0.77 TSHR (0.47) AGTR2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL7461684 0.76 KDM4E (0.43) NPSR1AGTR2ALDH1A1LMNATDP1
SCHEMBL9088018 0.74 AGTR2 (0.55) AGTR2MEN1KMT2APDE3AKDM4E
SCHEMBL8265591 0.72 AGTR1 (0.64) AGTR2PDE3AABCB11EGFRERBB2
SCHEMBL22533796 0.72 AGTR2 (0.51) AGTR2ALDH1A1MEN1KMT2APDE3A
SCHEMBL17998734 0.70 AGTR2 (0.57) AGTR2MEN1KMT2APDE3AKDM4E
SCHEMBL8562283 0.69 AGTR2 (0.58) AGTR2MEN1KMT2APDE3AKDM4E
SCHEMBL8562281 0.68 AGTR2 (0.58) AGTR2MEN1KMT2APDE3AKDM4E

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-1891053-A1 METHOD FOR OBTAINING BENZIMIDAZOLE DERIVATIVES AND INTERMEDIATES THEREOF Quimica Sintetica, S.A. (ES) 2008-02-27 EP disclosed
WO-2006134078-A1 METHOD FOR OBTAINING BENZIMIDAZOLE DERIVATIVES AND INTERMEDIATES THEREOF QUIMICA SINTETICA, S.A. (ES) 2006-12-21 WO disclosed