SCHEMBL6418657

SCHEMBL6418657

O=C(N1CCc2ccccc2C1)N1CCc2[nH]cnc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
NOTUM Q6P988 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
AKR1C3 P42330 1/20 0.47
GAA P10253 2/20 0.45
HPGD P15428 5/20 0.44
NLN Q9BYT8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 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
SCHEMBL22915890 0.78 KDM4E (0.47) KDM4EHPGD
SCHEMBL9050600 0.78 KEAP1 (0.55) KDM4ENOTUMMAPTKMT2AGAA
SCHEMBL1994788 0.77 NAMPT (0.38) KDM4EHRH3ADRA2A
SCHEMBL9050604 0.76 KEAP1 (0.55) KDM4EMAPTKMT2AGAAHPGD
SCHEMBL12662820 0.76 BAZ2B (0.43) NOTUMMAPTLMNA
SCHEMBL31595886 0.76 NAMPT (0.37) KDM4EHRH3ADRA2A
SCHEMBL22916009 0.75 NPC1 (0.47) KDM4EMEN1KMT2AGAANPC1
Oxalic Acid SCHEMBL6421255 0.75 KCNH2 (0.49) KDM4EHRH3MEN1KMT2AGAA
SCHEMBL22915967 0.74 MAPK1 (0.50) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL22915917 0.74 MEN1 (0.51) KDM4ETAAR1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed