SCHEMBL8305931

SCHEMBL8305931

CN(C(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
GLA P06280 1/20 0.57
CASP6 P55212 1/20 0.54
HCAR3 P49019 3/20 0.50
CDC25B P30305 1/20 0.49
POLB P06746 3/20 0.46
ATM Q13315 1/20 0.45
HPSE Q9Y251 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 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
SCHEMBL8300884 0.84 CASP6 (0.49) KDM4EGLACASP6HCAR3POLB
SCHEMBL8442696 0.84 ALDH1A1 (0.48) KDM4EGLACASP6HCAR3ALDH1A1
SCHEMBL8305961 0.83 ALDH1A1 (0.50) KDM4EGLACASP6HCAR3ATM
SCHEMBL8303776 0.82 ATM (0.65) KDM4EGLACASP6HCAR3ATM
SCHEMBL8304450 0.82 CASP6 (0.47) KDM4EGLACASP6HCAR3POLB
SCHEMBL1805157 0.77 KDM4E (0.51) KDM4EGLAPOLBALDH1A1SMN1; SMN2
SCHEMBL7408912 0.76 TSHR (0.56) KDM4EPOLBATMALDH1A1SMN1; SMN2
SCHEMBL7374190 0.76 ALDH1A1 (0.48) KDM4EGLAALDH1A1SMN1; SMN2AKR1C3
SCHEMBL7371553 0.75 ALDH1A1 (0.46) ATMALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL7371278 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A

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-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO disclosed