SCHEMBL7978081

SCHEMBL7978081

O=C(O)c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PIN1 Q13526 1/20 0.50
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ GUSB P08236 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ MMP13 P45452 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48

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
SCHEMBL7988193 0.89 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7988678 0.87 MAPK14 (0.61) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7989904 0.86 MEN1 (0.54) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7991863 0.84 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7991660 0.83 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7988654 0.82 MMP2 (0.57) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7989208 0.81 PIN1 (0.61) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7977743 0.80 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7991963 0.80 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6449323 0.79 MAPK14 (0.77) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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
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