SCHEMBL11464122

SCHEMBL11464122

O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.69
▸ KDM1A O60341 1/20 0.68
▸ RCOR1 Q9UKL0 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.66
▸ TSHR P16473 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ GFER P55789 1/20 0.59
▸ KMT2A Q03164 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ CTRB1 P17538 1/20 0.56
▸ CYP3A4 P08684 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ PREP P48147 2/20 0.54
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL7265734 0.89 KDM4E (0.78) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL7265745 0.89 KDM4E (0.78) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL4382896 0.89 NPSR1 (0.61) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL4382892 0.89 NPSR1 (0.61) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13388185 0.88 KDM4E (0.77) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL4384534 0.88 NPSR1 (0.65) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13588924 0.88 NPSR1 (0.65) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL562368 0.88 LMNA (0.56) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL29004401 0.88 LMNA (0.56) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL4397563 0.87 KDM4E (0.76) KDM4ELMNAHSD17B10KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52083738-A — — None — — JP disclosed
US-4191808-A DIPEPTIDE CONTAINING PROLINE AND A PHOTOMETRICALLY DETECTABLE NITROANILINE, PHENYLAZOANILINE OR PHENYLAZONAPHTHYLAMINE GROUP AJINOMOTO CO., INC. (JP) 1980-03-04 — — US disclosed
US-4119620-A Novel dipeptide derivatives, salts thereof, and method of measuring enzyme activity AJINOMOTO CO., INC. (JP) 1978-10-10 — — US disclosed
JP-S5283738-A NOVEL DIPEPTIDE DERIVATIVES AND THEIR SALTS AJINOMOTO CO INC 1977-07-12 — — JP disclosed
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