SCHEMBL8103843

SCHEMBL8103843

O=[N+]([O-])c1ccc(NCCO)c(F)c1NCCO

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
ALDH1A1 P00352 6/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 7/20 0.51
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.45
GSTM2 P28161 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR3 P49019 1/20 0.39
PRSS1 P07477 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL307956 0.86 RAB9A (0.55) RAB9AALDH1A1TSHRTDP1MAPT
SCHEMBL8097768 0.78 HCAR3 (0.49) RAB9AALDH1A1TSHRMAPTKMT2A
SCHEMBL29162289 0.78 RAB9A (0.59) RAB9AALDH1A1TSHRTDP1MAPT
SCHEMBL309286 0.78 RAB9A (0.52) RAB9AALDH1A1TSHRTDP1MAPT
SCHEMBL3669432 0.77 RAB9A (0.57) RAB9AALDH1A1TSHRTDP1MAPT
SCHEMBL5017636 0.77 ALDH1A1 (0.66) RAB9AALDH1A1TSHRTDP1MAPT
SCHEMBL309307 0.77 RAB9A (0.51) RAB9AALDH1A1TSHRTDP1MAPT
SCHEMBL8200406 0.77 ALDH1A1 (0.55) RAB9AALDH1A1TSHRTDP1MAPT
SCHEMBL127370 0.75 ALDH1A1 (0.68) RAB9AALDH1A1TSHRTDP1MAPT
SCHEMBL2467753 0.75 ALDH1A1 (0.56) RAB9AALDH1A1TSHRTDP1MAPT

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-0743848-B1 2-FLUORO-6-NITROANILINES HENKEL KGAA (DE) 2000-11-08 EP disclosed
EP-0743848-A1 2-FLUORO-6-NITROANILINES Henkel Kommanditgesellschaft auf Aktien (DE) 1996-11-27 EP disclosed
WO-1995021603-A1 2-FLUORO-6-NITROANILINES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-08-17 WO disclosed