SCHEMBL353255

SCHEMBL353255

CCOC(=O)Cc1cccnc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TBXAS1 P24557 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
BRD4 O60885 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39

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
SCHEMBL11663258 0.89 LMNA (0.40) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL3587106 0.82 MAPT (0.46) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL3595140 0.81 MAPT (0.48) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL27563569 0.79 SMN1; SMN2 (0.47) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL6642153 0.79 MAPT (0.46) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL4061267 0.79 MAPT (0.52) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL9370451 0.79 MAPT (0.49) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL353361 0.78 KDM4E (0.59) MAPTLMNAALDH1A1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL9753901 0.78 SMN1; SMN2 (0.46) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL29852705 0.78 MAPT (0.64) MAPTTBXAS1LMNAMAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
WO-2010081236-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2010-07-22 WO disclosed