SCHEMBL2104567

SCHEMBL2104567

COCCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
KCNH2 Q12809 5/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MC4R P32245 1/20 0.44
POLB P06746 1/20 0.44
PYCR1 P32322 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
SCHEMBL11542075 0.83 CRHBP (0.68) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL15524258 0.82 CRHBP (0.59) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL629014 0.82 KCNH2 (0.52) CRHBPCRHR2KCNH2ALDH1A1LMNA
SCHEMBL3144616 0.82 KCNH2 (0.52) CRHBPCRHR2KCNH2ALDH1A1LMNA
SCHEMBL20380500 0.82 CRHBP (0.59) CRHBPCRHR2KCNH2ALDH1A1LMNA
SCHEMBL3158691 0.81 KCNH2 (0.66) CRHBPCRHR2KCNH2TMEM97SIGMAR1
SCHEMBL1802673 0.80 CRHBP (0.60) CRHBPCRHR2KCNH2ALDH1A1LMNA
SCHEMBL19895209 0.80 CRHBP (0.48) CRHBPCRHR2KCNH2ALDH1A1LMNA
SCHEMBL3574502 0.79 HDAC1 (0.52) ALDH1A1LMNASMN1; SMN2TMEM97SIGMAR1
SCHEMBL20582635 0.79 CRHBP (0.47) CRHBPCRHR2KCNH2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed