SCHEMBL9788491

SCHEMBL9788491

O=C(O)c1cccc(Oc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.56
MRGPRX4 Q96LA9 5/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMO O15229 1/20 0.47
EPAS1 Q99814 1/20 0.47
HPSE Q9Y251 1/20 0.45
F10 P00742 1/20 0.44
AKR1C3 P42330 2/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL9788465 0.87 SERPINE1 (0.54) SERPINE1MRGPRX4KDM4EMEN1KMT2A
SCHEMBL9788477 0.86 ALDH1A1 (0.47) SERPINE1MRGPRX4KDM4EMEN1KMT2A
SCHEMBL10662277 0.81 LMNA (0.61) SERPINE1MRGPRX4KDM4EMEN1KMT2A
SCHEMBL2966318 0.79 MRGPRX4 (0.67) MRGPRX4KDM4EMEN1KMT2ATTR
SCHEMBL9788460 0.78 MEN1 (0.51) SERPINE1MRGPRX4KDM4EMEN1KMT2A
SCHEMBL9788474 0.77 KMO (0.69) MRGPRX4KDM4EKMOAKR1C3POLB
SCHEMBL10961789 0.76 TDP1 (0.72) SERPINE1MEN1KMT2ATTRPPOX
SCHEMBL2969148 0.76 KDM4E (0.56) SERPINE1MRGPRX4KDM4EMEN1KMT2A
SCHEMBL27947313 0.76 MRGPRX4 (0.64) SERPINE1MRGPRX4KDM4EKMOEPAS1
SCHEMBL16792622 0.76 KMO (0.68) MRGPRX4KDM4EMEN1KMT2ATTR

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