SCHEMBL27448293

SCHEMBL27448293

NN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
OPRK1 P41145 1/20 0.46
MC4R P32245 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL27448742 0.86 ALDH1A1 (0.51) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL7598909 0.83 CRHBP (0.58) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL6955073 0.82 ALDH1A1 (0.79) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL28532343 0.81 ALDH1A1 (0.60) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL6046672 0.80 RAB9A (0.54) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL21800147 0.78 CRHBP (0.55) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL20908975 0.77 CRHBP (0.56) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL3161760 0.76 CRHBP (0.65) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL16699713 0.76 CRHBP (0.65) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL27487794 0.76 ALDH1A1 (0.50) CRHBPCRHR2ALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1115330-C N- (4-amidinophenyl) glycinamide derivatives HOFFMANN LA ROCHE (CH) 2003-07-23 CN disclosed
CN-1224714-A N- (4-amidinophenyl) glycinamide derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN disclosed