SCHEMBL8474164

SCHEMBL8474164

COc1ccc([N+](=O)[O-])c(NC=C(C(=O)O)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
LMNA P02545 3/20 0.59
AKR1C3 P42330 5/20 0.56
AKR1C2 P52895 5/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
AKR1C4 P17516 2/20 0.56
AKR1C1 Q04828 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.45
BACE1 P56817 1/20 0.45

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
SCHEMBL6537797 1.00 MAPT (0.59) MAPTLMNAAKR1C3AKR1C2AKR1B10
SCHEMBL6538193 0.82 MAPT (0.70) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6538195 0.82 MAPT (0.70) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6300775 0.80 SMN1; SMN2 (0.53) MAPTLMNAAKR1C3AKR1C2AKR1B10
Oxalic Acid SCHEMBL20984441 0.80 AKR1C3 (0.60) MAPTAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL8524918 0.80 MAPT (0.50) MAPTMAPK1ALDH1A1BACE1
SCHEMBL6537432 0.80 MAPT (0.50) MAPTMAPK1ALDH1A1BACE1
SCHEMBL3496338 0.79 SMN1; SMN2 (0.66) MAPTAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL3496332 0.79 SMN1; SMN2 (0.66) MAPTAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL1511316 0.76 SMN1; SMN2 (0.66) MAPTLMNAAKR1C3AKR1C2AKR1B10

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-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed