SCHEMBL8090679

SCHEMBL8090679

CCOP(=O)(CNc1cc(OCc2ccccc2)c(C(F)(F)F)cc1[N+](=O)[O-])OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 7/20 0.43
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
SERPINE1 P05121 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MYC P01106 1/20 0.38

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
SCHEMBL8083681 0.87 MAPT (0.41) MAPTMEN1KMT2ACYP19A1SERPINE1
SCHEMBL8091742 0.86 SERPINE1 (0.52) MAPTMEN1KMT2ACYP19A1CTSV
SCHEMBL8083649 0.85 S1PR1 (0.37) MAPTMEN1KMT2AHTR1AADRA1D
SCHEMBL8091901 0.83 LMNA (0.40) MAPTMEN1KMT2ASERPINE1NPC1
SCHEMBL8090682 0.82 MAPT (0.42) MAPTMEN1KMT2ACYP19A1CTSV
SCHEMBL8091881 0.81 MAPT (0.43) MAPTMEN1KMT2ASERPINE1NPC1
SCHEMBL8606858 0.81 MEN1 (0.39) MAPTMEN1KMT2ASERPINE1NPC1
SCHEMBL8091931 0.80 SERPINE1 (0.47) MAPTMEN1KMT2ASERPINE1NPC1
SCHEMBL8171359 0.79 SERPINE1 (0.39) MAPTMEN1KMT2ASERPINE1RAB9A
SCHEMBL8091947 0.79 SERPINE1 (0.41) MAPTMEN1KMT2ASERPINE1NPC1

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-6136805-A Quinoxaline dione derivatives, their production and their use in medicaments SCNERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed