SCHEMBL7937746

SCHEMBL7937746

O=C(F)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.60
TSHR P16473 4/20 0.53
HGFAC Q04756 1/20 0.53
LMNA P02545 1/20 0.53
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX5 P09917 3/20 0.49
MAPT P10636 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
MEN1 O00255 1/20 0.47
DDX3X O00571 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL7929197 0.86 F2 (0.63) F2TSHRHGFACLMNACES2
SCHEMBL2955782 0.86 F2 (0.63) F2TSHRHGFACLMNACES2
SCHEMBL11195246 0.84 F2 (0.61) F2TSHRHGFACLMNACES2
SCHEMBL916164 0.83 F2 (0.60) F2TSHRHGFACLMNACES2
SCHEMBL29709134 0.83 MEN1 (0.63) F2TSHRHGFACLMNACES2
SCHEMBL148916 0.83 MEN1 (0.63) F2TSHRHGFACLMNACES2
SCHEMBL31536676 0.83 F2 (0.60) F2TSHRHGFACLMNACES2
SCHEMBL3291500 0.83 F2 (0.60) F2TSHRHGFACLMNACES2
SCHEMBL29787109 0.83 F2 (0.60) F2TSHRHGFACLMNACES2
SCHEMBL12678278 0.82 F2 (0.56) F2TSHRHGFACLMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235939-B1 TRIFLUOROALKOXY-5-CHLOROANILINE BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
US-6077973-A Process for the preparation of anilines which contain fluorine and new anilines which contain fluorine BAYER AKTIENGESELLSCHAFT (DE) 2000-06-20 US disclosed