SCHEMBL4115688

SCHEMBL4115688

CCN(Cc1ccncc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.57
LMNA P02545 4/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
MAPT P10636 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
GFER P55789 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL2755872 0.89 USP2 (0.60) USP2LMNACYP2C9CYP2C19TSHR
SCHEMBL2092776 0.84 USP2 (0.59) USP2LMNACYP2C9CYP2C19TSHR
SCHEMBL12672893 0.82 USP2 (0.57) USP2LMNACYP2C9CYP2C19TSHR
SCHEMBL967320 0.81 LMNA (0.70) LMNATSHRHSD17B10MEN1KMT2A
SCHEMBL19226522 0.80 USP2 (0.59) USP2LMNACYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL27708825 0.80 LMNA (0.68) LMNATSHRHSD17B10MEN1KMT2A
SCHEMBL27749182 0.80 LMNA (0.49) LMNATSHRMAPTBLMCYP1A2
SCHEMBL12783342 0.79 USP2 (0.55) USP2LMNACYP2C9CYP2C19TSHR
SCHEMBL14521669 0.79 LMNA (0.62) USP2LMNACYP2C9CYP2C19TSHR
SCHEMBL16565835 0.78 USP2 (0.65) USP2LMNACYP2C9CYP2C19TSHR

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-2038278-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-03-25 EP disclosed
WO-2008002956-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed