SCHEMBL8091935

SCHEMBL8091935

CCC(C)OP(=O)(O)CNc1cc(Oc2cccc(C(F)(F)F)c2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 5/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.37
PTGES O14684 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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 0.92 SERPINE1 (0.40) SERPINE1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8098790 0.86 NPSR1 (0.36) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8083815 0.86 SERPINE1 (0.61) SERPINE1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8092259 0.85 USP10 (0.44) SERPINE1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8091931 0.83 SERPINE1 (0.47) SERPINE1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8090682 0.82 MAPT (0.42) SERPINE1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8091948 0.81 SERPINE1 (0.41) SERPINE1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8098482 0.80 MAPT (0.39) SERPINE1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8171363 0.80 SERPINE1 (0.40) SERPINE1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8098272 0.77 UBE2M (0.34) POLB

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