SCHEMBL7991963

SCHEMBL7991963

O=C(Nc1nccs1)c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
MGAM O43451 4/20 0.54
GAA P10253 4/20 0.54
SI P14410 4/20 0.54
MGAM2 Q2M2H8 4/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
HCRTR1 O43613 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL7991396 0.91 KMT2A (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7991856 0.90 LMNA (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7977757 0.88 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7990033 0.88 MAPT (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7995613 0.85 RAB9A (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7991730 0.85 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7978174 0.85 MAPT (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7978116 0.85 LMNA (0.61) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7977594 0.84 MAPT (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7991821 0.84 RAB9A (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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