SCHEMBL8699458

SCHEMBL8699458

C[C@@H](Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
ADAMTS4 O75173 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
ADORA1 P30542 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
BRD4 O60885 1/20 0.37
PHGDH O43175 1/20 0.36

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
SCHEMBL9854834 0.80 MAPT (0.54) MAPTHTTALDH1A1LMNACYP1A2
SCHEMBL7835308 0.79 GALR2 (0.46) MAPTHTTALDH1A1LMNAABCG2
SCHEMBL31477687 0.76 KMT2A (0.52) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL1669347 0.76 KMT2A (0.52) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL1669351 0.76 KMT2A (0.52) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL31455363 0.76 GSK3B (0.43) MAPTCYP1A2ABCG2KMT2AMEN1
SCHEMBL12100934 0.75 GSK3B (0.57) MAPTALDH1A1CYP1A2ABCG2KMT2A
SCHEMBL11241875 0.75 POLB (0.47) MAPTHTTALDH1A1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL9694453 0.75 KMT2A (0.51) MAPTHTTALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL9694444 0.75 KMT2A (0.51) MAPTHTTALDH1A1LMNAKMT2A

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
WO-1998045266-A1 3-AMINOPYRIDINE DERIVATIVES FOR TREATMENT OF INFLAMMATORY AND MALIGNANT DISEASES FERRING B.V. (NL) 1998-10-15 WO disclosed