SCHEMBL8560946

SCHEMBL8560946

O=[N+]([O-])c1cc(OC(F)(F)F)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 3/20 0.41
HPRT1 P00492 1/20 0.41
HTT P42858 1/20 0.41
GUSB P08236 1/20 0.40
F2 P00734 1/20 0.40
C1R P00736 1/20 0.40
IGF1R P08069 1/20 0.40
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8563943 0.80 MEN1 (0.43) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8563242 0.79 IGF1R (0.54) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8562096 0.76 PIN1 (0.50) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8566013 0.74 C1R (0.41) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL23496954 0.74 IGF1R (0.44) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL29365766 0.74 MYC (0.41) RAB9AALDH1A1C1RIGF1RL3MBTL1
SCHEMBL8564988 0.74 LTB4R (0.45) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL3298254 0.73 KMT2A (0.54) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8595165 0.73 LTB4R (0.49) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL8562668 0.72 POLB (0.45) MEN1KMT2AMAPTRAB9AMAPK1

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed