SCHEMBL8090682

SCHEMBL8090682

CCC(C)OP(=O)(O)CNc1cc(OCc2ccccc2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP19A1 P11511 6/20 0.41
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
SERPINE1 P05121 1/20 0.40
CTSV O60911 3/20 0.38
CTSL P07711 3/20 0.38
PPIA P62937 1/20 0.37
TDO2 P48775 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8083684 0.89 SERPINE1 (0.40) MAPTMEN1KMT2ACYP19A1SERPINE1
SCHEMBL8083652 0.87 PPARG (0.36) MAPTMEN1KMT2A
SCHEMBL8091742 0.85 SERPINE1 (0.52) MAPTMEN1KMT2ACYP19A1MYC
SCHEMBL8098482 0.83 MAPT (0.39) MAPTMEN1KMT2ASERPINE1NPC1
SCHEMBL8091948 0.82 SERPINE1 (0.41) MAPTMEN1KMT2ASERPINE1SMN1; SMN2
SCHEMBL8091935 0.82 SERPINE1 (0.47) MAPTMEN1KMT2ASERPINE1NPC1
SCHEMBL8090679 0.82 MAPT (0.43) MAPTMEN1KMT2ACYP19A1MYC
SCHEMBL8171363 0.82 SERPINE1 (0.40) MAPTMEN1KMT2ASERPINE1SMN1; SMN2
SCHEMBL8092259 0.79 USP10 (0.44) MAPTMEN1KMT2ASERPINE1NPC1
SCHEMBL8183715 0.78 CFTR (0.40) MAPTMEN1KMT2ACYP19A1SERPINE1

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