SCHEMBL8092259

SCHEMBL8092259

CCOC(=O)c1ccc(Oc2cc(NCP(=O)(O)OC(C)CC)c([N+](=O)[O-])cc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.41
PTGER4 P35408 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.40
SERPINE1 P05121 2/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37

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 0.88 SERPINE1 (0.40) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL8090776 0.87 PTGER4 (0.38) ALDH1A1MAPTPTGER4LMNAKDM4E
SCHEMBL8092253 0.85 USP10 (0.48) USP10ALDH1A1MAPTRAB9APTGER4
SCHEMBL8091935 0.85 SERPINE1 (0.47) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL8098482 0.79 MAPT (0.39) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL8090682 0.79 MAPT (0.42) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL8091948 0.79 SERPINE1 (0.41) ALDH1A1MAPTPKMLMNAPOLB
SCHEMBL8171363 0.78 SERPINE1 (0.40) ALDH1A1MAPTPKMLMNAPOLB
SCHEMBL8091918 0.77 SERPINE1 (0.50) MAPTLMNAKMT2ASERPINE1MEN1
SCHEMBL8091902 0.75 SERPINE1 (0.49) ALDH1A1MAPTRAB9ANPC1LMNA

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