SCHEMBL9196876

SCHEMBL9196876

O=C1c2ccccc2C(=O)N1Cc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TYR P14679 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
GRM5 P41594 2/20 0.47
CASP3 P42574 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RPS6KA2 Q15349 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.43
AGTR1 P30556 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL9196427 0.89 MEN1 (0.50) MEN1KMT2ARXFP1TYRALDH1A1
SCHEMBL4047966 0.82 TYR (0.67) MEN1KMT2ARXFP1TYRALDH1A1
SCHEMBL9195586 0.80 MEN1 (0.47) MEN1KMT2ARXFP1TYRALDH1A1
SCHEMBL18668918 0.79 CASP3 (0.54) RXFP1GRM5CASP3SMN1; SMN2ACHE
SCHEMBL9197300 0.79 KMT2A (0.57) MEN1KMT2ARXFP1TYRALDH1A1
SCHEMBL28962650 0.79 GRM5 (0.53) MEN1KMT2ARXFP1TYRALDH1A1
SCHEMBL30216837 0.79 GRM5 (0.53) MEN1KMT2ARXFP1TYRALDH1A1
SCHEMBL18669095 0.77 RPS6KA2 (0.53) RXFP1TYRGRM5CASP3ACHE
SCHEMBL29901110 0.76 GRM5 (0.49) MEN1KMT2ARXFP1TYRALDH1A1
SCHEMBL28855427 0.76 GRM5 (0.49) MEN1KMT2ARXFP1TYRALDH1A1

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
EP-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 US disclosed
EP-0382687-A2 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-08-16 EP disclosed