SCHEMBL10690325

SCHEMBL10690325

O=[N+]([O-])c1c(F)ccc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 7/20 0.48
TDP1 Q9NUW8 5/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSP90AA1 P07900 2/20 0.48
NFKB1 P19838 2/20 0.48
HTT P42858 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
MMP2 P08253 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL1011432 0.80 TSHR (0.56) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL2672220 0.80 MAPT (0.56) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL10615047 0.80 PDE10A (0.56) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL10277488 0.80 PDE10A (0.56) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL10277357 0.80 PDE10A (0.51) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL10614589 0.79 MEN1 (0.62) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL19128821 0.78 ALDH1A1 (0.62) PDE10AALDH1A1MAPTTDP1KDM4E
SCHEMBL11973739 0.78 PDE10A (0.53) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL1011709 0.78 PDE10A (0.53) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL31067275 0.77 PDE10A (0.65) PDE10AMEN1KMT2AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496154-A Quinoline group-containing triptycene diamine monomer, polymer and preparation method 吉林大学 2024-08-16 CN disclosed
US-4721790-A Nucleophilic substitution process for fluoronitroaralkyloxazoline ETHYL CORPORATION (US) 1988-01-26 US disclosed
US-4540795-A Fluoronitroaralkyloxazolines, derivatives thereof, and nucleophilic substitution processes for preparing them ETHYL CORPORATION (US) 1985-09-10 US disclosed