SCHEMBL9011202

SCHEMBL9011202

O=C(CCCNC(=O)c1cccnc1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.67
KMT2A Q03164 5/20 0.63
RAB9A P51151 4/20 0.63
MEN1 O00255 3/20 0.63
NPC1 O15118 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TDP1 Q9NUW8 2/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 2/20 0.53
PTAFR P25105 1/20 0.52
GAA P10253 1/20 0.51
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50

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
SCHEMBL15592299 0.84 CYP1A2 (0.66) EPHX2KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL62325 0.84 EPHX2 (0.72) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL2227019 0.82 KMT2A (0.65) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL4182430 0.81 EPHX2 (1.00) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL678984 0.81 EPHX2 (0.70) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL29560373 0.81 EPHX2 (0.70) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL5553310 0.80 EPHX2 (0.92) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL27441071 0.79 PRSS1 (0.69) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL17822214 0.79 EPHX2 (0.75) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL9809561 0.79 RAB9A (0.76) EPHX2KMT2ARAB9AMEN1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed
US-4786647-A DIHYDROPYRIDINE DERIVATIVES OF AMINOBUTYRIC ACID UNIVERSITY OF FLORIDA (US) 1988-11-22 US disclosed