SCHEMBL6421743

SCHEMBL6421743

CC(C)(C)c1ccc(/C=C/C(=O)N2CCc3[nH]cnc3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 5/20 0.54
LMNA P02545 4/20 0.53
GAA P10253 1/20 0.53
GPR183 P32249 4/20 0.46
CYP1A2 P05177 2/20 0.44
HTT P42858 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL22915917 0.85 MEN1 (0.51) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL20213924 0.75 MEN1 (0.51) MAPTMEN1KMT2AKDM4EMAPK1
Oxalic Acid SCHEMBL6421009 0.74 GRIN2B (0.46) NPC1RAB9A
SCHEMBL12662820 0.72 BAZ2B (0.43) MAPTMAPK1LMNA
SCHEMBL21313861 0.71 CCR2 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21323085 0.71 CCR2 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16962970 0.71 CCR2 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1994788 0.71 NAMPT (0.38) KDM4EMAPK1
SCHEMBL15492450 0.69 CREBBP (0.47) KDM4ENPC1RAB9A
SCHEMBL22915970 0.68 POLB (0.55) MEN1KMT2AKDM4EALDH1A1HPGD

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