SCHEMBL11241447

SCHEMBL11241447

Cc1nccn1CCOc1ccc(Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
S1PR4 O95977 7/20 0.51
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
XBP1 P17861 1/20 0.47
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45

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
Maleic Acid SCHEMBL11241428 0.89 KDM4E (0.50) HPGDNPC1LMNAPKMRAB9A
SCHEMBL11247290 0.80 NPSR1 (0.55) LMNAKCNH2ALDH1A1SMN1; SMN2
Maleic Acid SCHEMBL11248410 0.80 KDM4E (0.58) HPGDNPC1LMNARAB9AKDM4E
SCHEMBL8540415 0.77 HTT (0.53) HPGDNPC1LMNARAB9AS1PR4
SCHEMBL11240131 0.77 ALDH1A1 (0.47) HPGDLMNAKDM4EALDH1A1HTT
SCHEMBL11251413 0.76 KDM4E (0.49) NPC1LMNAKCNH2KDM4EALDH1A1
Maleic Acid SCHEMBL11245948 0.75 KDM4E (0.46) HPGDNPC1LMNAPKMRAB9A
SCHEMBL11151952 0.75 FFAR1 (0.46) KDM4EALDH1A1HTTSMN1; SMN2GAA
SCHEMBL11145929 0.75 FFAR1 (0.46) KCNH2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL17482331 0.73 ALDH1A1 (0.76) LMNAPKMKDM4EALDH1A1HTT

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-0049060-A1 Imidazoles BEECHAM GROUP PLC (GB) 1982-04-07 EP claimed
EP-0049060-A1 Imidazoles BEECHAM GROUP PLC (GB) 1982-04-07 EP disclosed