SCHEMBL10666648

SCHEMBL10666648

O=[N+]([O-])c1ccc(O)cc1CN1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
MCL1 Q07820 1/20 0.51
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNB3 P54284 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNG7 P62955 1/20 0.46

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
SCHEMBL24628828 0.83 MEN1 (0.50) MEN1KMT2AKDM4EHTTTDP1
SCHEMBL315973 0.81 MEN1 (0.97) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL14351628 0.78 ACHE (0.68) MEN1KMT2AKDM4EHTTTDP1
SCHEMBL2372693 0.76 ACHE (0.70) MEN1KMT2AKDM4EHTTTDP1
SCHEMBL26054244 0.75 ALDH1A1 (0.63) KMT2AKDM4EMAPTHTTTDP1
SCHEMBL6891634 0.75 MEN1 (0.59) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL29901077 0.74 BACE1 (0.50) ALDH1A1
SCHEMBL4953327 0.74 BACE1 (0.50) HTTPOLBALDH1A1
SCHEMBL1589671 0.74 BACE1 (0.50) ALDH1A1
SCHEMBL16054847 0.74 L3MBTL1 (0.61) MEN1KMT2AKDM4EMAPTHTT

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
US-4767769-A HISTAMINE-H2 ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
EP-0172631-A1 Therapeutic agents The Boots Company PLC (GB) 1986-02-26 EP disclosed