SCHEMBL353361

SCHEMBL353361

O=Cc1ncccc1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
CYP1A2 P05177 1/20 0.59
MAPT P10636 1/20 0.59
AKR1B1 P15121 2/20 0.46
TDP1 Q9NUW8 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
SRC P12931 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
BCAT2 O15382 1/20 0.37
DPP4 P27487 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL24025355 0.81 CYP1A2 (0.39) KDM4ECYP1A2MAPTLMNASMN1; SMN2
SCHEMBL3296819 0.79 KDM4E (0.42) KDM4ECYP1A2MAPTLMNASMN1; SMN2
Benzene SCHEMBL11824212 0.78 TRIM24 (0.37) KDM4ECYP1A2MAPTLMNASMN1; SMN2
SCHEMBL29431315 0.78 CYP1A2 (0.62) KDM4ECYP1A2MAPTAKR1B1TDP1
SCHEMBL950737 0.78 CYP1A2 (0.62) KDM4ECYP1A2MAPTAKR1B1TDP1
SCHEMBL353255 0.78 MAPT (0.44) KDM4ECYP1A2MAPTLMNASMN1; SMN2
SCHEMBL6115316 0.77 TRIM24 (0.39) KDM4ECYP1A2MAPTLMNASMN1; SMN2
SCHEMBL18995128 0.76 TKT (0.37) KDM4ECYP1A2MAPTLMNASMN1; SMN2
SCHEMBL11552786 0.76 MET (0.46) SMN1; SMN2ALDH1A1
SCHEMBL18250821 0.76 TRIM24 (0.38) KDM4ECYP1A2MAPTLMNASMN1; SMN2

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