SCHEMBL8690703

SCHEMBL8690703

COC(=O)c1ccc(OCCc2ncc[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
RAB9A P51151 3/20 0.55
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL8685265 0.87 TDP1 (0.51) MAPTALDH1A1TDP1L3MBTL1CA1
SCHEMBL8690312 0.86 HRH3 (0.58) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL7804458 0.85 PKM (0.53) KDM4EALDH1A1TDP1L3MBTL1HTT
Hydrochloric Acid SCHEMBL8454963 0.82 ALDH1A1 (0.57) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4642678 0.81 CYP4A11 (0.58) MAPTKDM4EALDH1A1SMN1; SMN2NAMPT
SCHEMBL8685427 0.81 GAA (0.56) MAPTKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8690250 0.81 HRH3 (0.48) MAPTALDH1A1RAB9ASMN1; SMN2GAA
SCHEMBL31177818 0.80 KDM4E (0.46) KDM4EALDH1A1L3MBTL1NPC1NAMPT
SCHEMBL6746541 0.79 ALDH1A1 (0.60) MAPTKDM4EALDH1A1RAB9ATDP1
SCHEMBL8685448 0.79 CYP1A2 (0.48) MAPTALDH1A1SMN1; SMN2LMNANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed