SCHEMBL9788460

SCHEMBL9788460

O=C(O)c1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
TTR P02766 1/20 0.51
PPOX P50336 1/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1B1 P15121 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SERPINE1 P05121 1/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
KMO O15229 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.44
NR4A2 P43354 1/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL10675419 0.87 KMO (0.57) AKR1C3AKR1C2KMOMRGPRX4NR4A2
SCHEMBL9788472 0.86 SMN1; SMN2 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11053070 0.85 MRGPRX4 (0.55) MEN1KMT2AAKR1C3AKR1B1AKR1C4
SCHEMBL10669968 0.82 KMO (0.52) AKR1C3AKR1C2KMOMRGPRX4NR4A2
Bicarbonate SCHEMBL27719024 0.82 KIF11 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10662277 0.81 LMNA (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10674172 0.80 KMO (0.49) AKR1C3AKR1C2KMOMRGPRX4NR4A2
SCHEMBL27715340 0.79 MAPT (0.53) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL10552727 0.78 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9788491 0.78 SERPINE1 (0.56) MEN1KMT2ATDP1TTRPPOX

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-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US claimed
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US disclosed