SCHEMBL7977883

SCHEMBL7977883

O=C(Nc1nccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
MAPT P10636 5/20 0.55
NPC1 O15118 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RECQL P46063 2/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
POLB P06746 1/20 0.50
STAT1 P42224 1/20 0.50
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GCK P35557 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
Hydrochloric Acid SCHEMBL7991830 0.99 LMNA (0.54) LMNAMAPTNPC1KDM4EMEN1
SCHEMBL7978116 0.92 LMNA (0.61) LMNAMAPTNPC1KDM4EMEN1
SCHEMBL7989114 0.91 MAPT (0.55) LMNAMAPTNPC1KDM4EMEN1
Hydrochloric Acid SCHEMBL7992009 0.90 LMNA (0.55) LMNAMAPTNPC1KDM4EMEN1
SCHEMBL7991856 0.90 LMNA (0.55) LMNAMAPTNPC1KDM4EMEN1
SCHEMBL7978174 0.89 MAPT (0.56) LMNAMAPTNPC1KDM4EMEN1
SCHEMBL7991811 0.89 LMNA (0.56) LMNAMAPTNPC1KDM4EMEN1
Hydrochloric Acid SCHEMBL7977594 0.88 MAPT (0.55) LMNAMAPTNPC1KDM4EMEN1
SCHEMBL7988571 0.88 MAPT (0.55) LMNAMAPTNPC1KDM4EMEN1
SCHEMBL7991955 0.88 MAPT (0.55) LMNAMAPTNPC1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed