SCHEMBL9854834

SCHEMBL9854834

CC(Nc1nc(F)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.51
ALDH1A1 P00352 5/20 0.46
HCAR3 P49019 3/20 0.38
CES2 O00748 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
TBXA2R P21731 1/20 0.35
AADAC P22760 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8699458 0.80 MAPT (0.51) MAPTHTTALDH1A1LMNACYP1A2
SCHEMBL1669347 0.76 KMT2A (0.52) MAPTHTTALDH1A1LMNAMAPK1
SCHEMBL1669351 0.76 KMT2A (0.52) MAPTHTTALDH1A1LMNAMAPK1
SCHEMBL31477687 0.76 KMT2A (0.52) MAPTHTTALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL9694453 0.75 KMT2A (0.51) MAPTHTTALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL9694444 0.75 KMT2A (0.51) MAPTHTTALDH1A1LMNAMAPK1
SCHEMBL5120739 0.73 ALDH1A1 (0.47) MAPTHTTALDH1A1HCAR3TSHR
SCHEMBL5120740 0.73 ALDH1A1 (0.47) MAPTHTTALDH1A1HCAR3TSHR
SCHEMBL9474771 0.73 ALDH1A1 (0.56) MAPTHTTALDH1A1HCAR3CYP1A2
SCHEMBL4869291 0.73 ALDH1A1 (0.56) MAPTHTTALDH1A1HCAR3CYP1A2

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
EP-0453065-A1 Triazolopyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed