SCHEMBL7908196

SCHEMBL7908196

CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
GLA P06280 1/20 0.47
CTSD P07339 1/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL7475644 0.83 GLA (0.53) SMN1; SMN2GLACTSDALDH1A1CYP1A2
SCHEMBL7475632 0.83 GLA (0.53) SMN1; SMN2GLACTSDALDH1A1CYP1A2
SCHEMBL7908193 0.77 GLA (0.55) SMN1; SMN2GLACTSDALDH1A1CYP1A2
SCHEMBL5248182 0.77 SLC6A2 (0.58) SMN1; SMN2GLACTSDALDH1A1CYP1A2
SCHEMBL28481443 0.76 ALDH1A1 (0.59) ALDH1A1POLBTSHRKMT2AMEN1
SCHEMBL27626419 0.75 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL7063784 0.74 ALDH1A1 (0.58) SMN1; SMN2GLACTSDALDH1A1CYP1A2
SCHEMBL7063781 0.74 ALDH1A1 (0.58) SMN1; SMN2GLACTSDALDH1A1CYP1A2
SCHEMBL8370221 0.74 FNTA (0.57) SMN1; SMN2GLAALDH1A1CYP1A2POLB
SCHEMBL27901687 0.74 TSHR (0.49) SMN1; SMN2GLACTSDALDH1A1TSHR

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-6201119-B1 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-13 US disclosed